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-0.03559253,
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0.11148226
],
[
-0.03559253,
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-0.11148226
],
[
0,
0.05430769,
0.07905221
],
[
0,
0.05430769,
-0.07905221
],
[
0,
0.01367268,
0.09981665
],
[
0,
0.01367268,
-0.09981665
],
[
0,
0.05217644,
0
],
[
0,
0.00564131,
0
]
] | pbe | true | 38 | agm005266311-pbe-0 | 0 | 0 |
[
"Cd",
"Mg",
"Sn"
] | 16 | A14BC | CdMg14Sn | Mg14 Cd Sn | 3 | [
1,
1,
1
] | 3 | [
[
3.20535253,
-5.48482405,
0
],
[
3.20535253,
5.48482405,
0
],
[
0,
0,
10.392016
]
] | agm005266311 | [
[
3.2053525299999994,
-3.6588137945584553,
0
],
[
3.20535253,
1.8244653998996205,
0
],
[
1.600465950055888,
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5.196008
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[
1.6043847499520152,
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0
],
[
4.810239109944112,
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5.196008
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[
4.806320310047985,
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0
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[
1.6070251270450773,
0.9122570525685924,
2.5927272460356803
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[
1.6070251270450773,
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7.79928875396432
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[
4.803679932954922,
0.912257052568592,
2.5927272460356803
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[
4.803679932954922,
0.912257052568592,
7.79928875396432
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[
3.20535253,
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2.58067385843776
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[
3.20535253,
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7.81134214156224
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[
3.20535253,
3.6562927500321147,
2.59127662452224
],
[
3.20535253,
3.6562927500321147,
7.80073937547776
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[
3.20535253,
1.8329746656272723,
5.196008
],
[
3.20535253,
-3.650939342366352,
5.196008
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}] | [
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Cd",
"Sn"
] | 2024-05-07 00:00:00 | [
0.0625,
0.875,
0.0625
] | [
[
5.6465109,
0,
0
],
[
0,
2.50442295,
0
],
[
0,
0,
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]
] | -27.613573 | -27.613573 | [
[
0,
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0
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[
0,
0.00362437,
0
],
[
-0.0211665,
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0
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[
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0
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[
0.0211665,
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[
0.0178509,
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[
0.02592856,
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[
0.02592856,
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[
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[
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[
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[
0,
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[
0,
0.00808615,
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[
0,
0.00808615,
-0.09708908
],
[
0,
0.04090019,
0
],
[
0,
0.00106355,
0
]
] | pbe | true | 38 | agm005266311-pbe-1 | 1 | 0 |
[
"Cd",
"Mg",
"Sn"
] | 16 | A14BC | CdMg14Sn | Mg14 Cd Sn | 3 | [
1,
1,
1
] | 3 | [
[
3.25683945,
-5.5135493,
0
],
[
3.25683945,
5.5135493,
0
],
[
0,
0,
10.16493145
]
] | agm005266311 | [
[
3.25683945,
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0
],
[
3.25683945,
1.8218168431432065,
0
],
[
1.6276018023405272,
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5.082465725
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[
1.6251032853880654,
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0
],
[
4.886077097659474,
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[
4.888575614611936,
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[
1.645633163681874,
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2.585555114750749
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[
1.645633163681874,
0.926347186643998,
7.57937633524925
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[
4.868045736318126,
0.9263471866439978,
2.585555114750749
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[
4.868045736318126,
0.9263471866439978,
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[
3.25683945,
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[
3.25683945,
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[
3.25683945,
3.68344680523974,
2.5728083923617637
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[
3.25683945,
3.68344680523974,
7.5921230576382355
],
[
3.25683945,
1.851459448515782,
5.082465725
],
[
3.25683945,
-3.6759051519652277,
5.082465725
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}] | [
"Mg",
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"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Cd",
"Sn"
] | 2024-05-07 00:00:00 | [
0.0625,
0.875,
0.0625
] | [
[
0.34228111,
0,
0
],
[
0,
-0.34422679,
0
],
[
0,
0,
0.09332874
]
] | -27.666879 | -27.666879 | [
[
0,
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0
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[
0,
-0.00279478,
0
],
[
0.00247033,
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0
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[
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0
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[
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0
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[
0.0007555,
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0
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[
-0.00023499,
0.00079623,
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[
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0.00635028
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[
0.00023499,
0.00079623,
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[
0.00023499,
0.00079623,
0.00635028
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[
0,
0.00113093,
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],
[
0,
0.00113093,
0.00661721
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[
0,
0.00808188,
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[
0,
0.00808188,
0.00525236
],
[
0,
0.00680769,
0
],
[
0,
-0.00355476,
0
]
] | pbe | true | 38 | agm005266311-pbe-10 | 10 | 0 |
[
"Cd",
"Mg",
"Sn"
] | 16 | A14BC | CdMg14Sn | Mg14 Cd Sn | 3 | [
1,
1,
1
] | 3 | [
[
3.25893796,
-5.51073116,
0
],
[
3.25893796,
5.51073116,
0
],
[
0,
0,
10.16643861
]
] | agm005266311 | [
[
3.25893796,
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0
],
[
3.25893796,
1.8195386149253363,
0
],
[
1.629638607720818,
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[
1.625983871745576,
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0
],
[
4.888237312279181,
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[
4.891892048254424,
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0
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[
1.6468929243925197,
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[
1.6468929243925197,
0.9265662364675947,
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[
4.870982995607481,
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[
4.870982995607481,
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[
3.25893796,
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[
3.25893796,
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7.620144262588512
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[
3.25893796,
3.683649566477478,
2.5723894603712503
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[
3.25893796,
3.683649566477478,
7.59404914962875
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[
3.25893796,
1.8512778914706032,
5.083219305
],
[
3.25893796,
-3.675027586719165,
5.083219305
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}] | [
"Mg",
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"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Cd",
"Sn"
] | 2024-05-07 00:00:00 | [
0.0625,
0.875,
0.0625
] | [
[
0.15630528,
0,
0
],
[
0,
-0.28700576,
0
],
[
0,
0,
-0.02747402
]
] | -27.667058 | -27.667058 | [
[
0,
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0
],
[
0,
-0.00156756,
0
],
[
0.00100708,
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0
],
[
0.00003085,
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0
],
[
-0.00100708,
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0
],
[
-0.00003085,
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0
],
[
0.00062637,
0.0017694,
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],
[
0.00062637,
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0.00456477
],
[
-0.00062637,
0.0017694,
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],
[
-0.00062637,
0.0017694,
0.00456477
],
[
0,
0.00000672,
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],
[
0,
0.00000672,
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],
[
0,
0.00531674,
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],
[
0,
0.00531674,
0.00420677
],
[
0,
0.00625504,
0
],
[
0,
-0.00409022,
0
]
] | pbe | true | 38 | agm005266311-pbe-11 | 11 | 0 |
[
"Cd",
"Mg",
"Sn"
] | 16 | A14BC | CdMg14Sn | Mg14 Cd Sn | 3 | [
1,
1,
1
] | 3 | [
[
3.26239629,
-5.50608691,
0
],
[
3.26239629,
5.50608691,
0
],
[
0,
0,
10.1689224
]
] | agm005266311 | [
[
3.26239629,
-3.695968546859174,
0
],
[
3.26239629,
1.8157858885190266,
0
],
[
1.6329969324424174,
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5.0844612
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[
1.6274348077596705,
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0
],
[
4.891795647557583,
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5.0844612
],
[
4.897357772240329,
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0
],
[
1.648969363686554,
0.926926220307394,
2.5857690446340476
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[
1.648969363686554,
0.926926220307394,
7.583153355365951
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[
4.875823216313446,
0.9269262203073945,
2.5857690446340476
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[
4.875823216313446,
0.9269262203073945,
7.583153355365951
],
[
3.26239629,
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2.544614297099784
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[
3.26239629,
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7.6243081029002155
],
[
3.26239629,
3.68398080456046,
2.571698815155288
],
[
3.26239629,
3.68398080456046,
7.597223584844712
],
[
3.26239629,
1.8509776025173392,
5.0844612
],
[
3.26239629,
-3.6735800266309466,
5.0844612
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}] | [
"Mg",
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"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Cd",
"Sn"
] | 2024-05-07 00:00:00 | [
0.0625,
0.875,
0.0625
] | [
[
-0.13580361,
0,
0
],
[
0,
-0.20275305,
0
],
[
0,
0,
-0.2295207
]
] | -27.667188 | -27.667188 | [
[
0,
0.00009369,
0
],
[
0,
0.00171409,
0
],
[
-0.00193117,
0.00140408,
0
],
[
0.0014977,
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0
],
[
0.00193117,
0.00140408,
0
],
[
-0.0014977,
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0
],
[
0.00201984,
0.00352768,
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],
[
0.00201984,
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0.00122756
],
[
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0.00352768,
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[
-0.00201984,
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0.00122756
],
[
0,
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],
[
0,
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],
[
0,
0.00016579,
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],
[
0,
0.00016579,
0.00199041
],
[
0,
0.00165518,
0
],
[
0,
-0.00770363,
0
]
] | pbe | true | 38 | agm005266311-pbe-12 | 12 | 0 |
[
"Cd",
"Mg",
"Sn"
] | 16 | A14BC | CdMg14Sn | Mg14 Cd Sn | 3 | [
1,
1,
1
] | 3 | [
[
3.26217292,
-5.5014743,
0
],
[
3.26217292,
5.5014743,
0
],
[
0,
0,
10.16296947
]
] | agm005266311 | [
[
3.26217292,
-3.6938057060687575,
0
],
[
3.26217292,
1.8139376339255782,
0
],
[
1.6329887635165687,
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5.081484735
],
[
1.6275421743658782,
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0
],
[
4.89135707648343,
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5.081484735
],
[
4.896803665634121,
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0
],
[
1.649363142623321,
0.9272059901753389,
2.5838570377716654
],
[
1.649363142623321,
0.9272059901753389,
7.579112432228335
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[
4.874982697376678,
0.9272059901753389,
2.5838570377716654
],
[
4.874982697376678,
0.9272059901753389,
7.579112432228335
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[
3.2621729200000003,
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2.542977509375537
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[
3.2621729200000003,
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],
[
3.26217292,
3.6819688439943636,
2.5693929979922667
],
[
3.26217292,
3.6819688439943636,
7.593576472007734
],
[
3.2621729199999994,
1.850142066087476,
5.081484735
],
[
3.26217292,
-3.6725540609952882,
5.081484735
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}] | [
"Mg",
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"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Cd",
"Sn"
] | 2024-05-07 00:00:00 | [
0.0625,
0.875,
0.0625
] | [
[
0.32868686,
0,
0
],
[
0,
0.40863061,
0
],
[
0,
0,
0.40022543
]
] | -27.6672 | -27.6672 | [
[
0,
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0
],
[
0,
0.00038504,
0
],
[
-0.00106162,
0.00139647,
0
],
[
0.00212185,
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0
],
[
0.00106162,
0.00139647,
0
],
[
-0.00212185,
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0
],
[
0.00115851,
0.00141073,
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],
[
0.00115851,
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0.00100393
],
[
-0.00115851,
0.00141073,
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],
[
-0.00115851,
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0.00100393
],
[
0,
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0.00345759
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[
0,
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],
[
0,
0.00005263,
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[
0,
0.00005263,
0.00009105
],
[
0,
0.0022365,
0
],
[
0,
-0.00383782,
0
]
] | pbe | true | 38 | agm005266311-pbe-13 | 13 | 0 |
[
"Cd",
"Mg",
"Sn"
] | 16 | A14BC | CdMg14Sn | Mg14 Cd Sn | 3 | [
1,
1,
1
] | 3 | [
[
3.26227114,
-5.50350266,
0
],
[
3.26227114,
5.50350266,
0
],
[
0,
0,
10.16558722
]
] | agm005266311 | [
[
3.26227114,
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0
],
[
3.26227114,
1.814750503360742,
0
],
[
1.632992356864754,
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5.08279361
],
[
1.6274949732758943,
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0
],
[
4.891549923135246,
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5.08279361
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[
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[
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[
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[
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[
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[
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[
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[
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[
3.26227114,
1.8505094018240393,
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[
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] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}] | [
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"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Cd",
"Sn"
] | 2024-05-07 00:00:00 | [
0.0625,
0.875,
0.0625
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[
0.13879011,
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0
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[
0,
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0
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[
0,
0,
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[
0,
0.00127565,
0
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[
0,
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0
]
] | pbe | true | 38 | agm005266311-pbe-14 | 14 | 0 |
[
"Cd",
"Mg",
"Sn"
] | 16 | A14BC | CdMg14Sn | Mg14 Cd Sn | 3 | [
1,
1,
1
] | 3 | [
[
3.26227114,
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0
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[
3.26227114,
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[
0,
0,
10.16558722
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] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}] | [
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"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Cd",
"Sn"
] | 2024-05-07 00:00:00 | [
0.0625,
0.875,
0.0625
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[
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0,
0
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0,
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0
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[
0,
0,
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[
0,
0.00109902,
0
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[
0,
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0
]
] | pbe | true | 38 | agm005266311-pbe-15 | 15 | 1 |
[
"Cd",
"Mg",
"Sn"
] | 16 | A14BC | CdMg14Sn | Mg14 Cd Sn | 3 | [
1,
1,
1
] | 3 | [
[
3.26190513,
-5.5039482,
0
],
[
3.26190513,
5.5039482,
0
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[
0,
0,
10.17112752
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[
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] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}] | [
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"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Cd",
"Sn"
] | 2024-05-07 00:00:00 | [
0.0625,
0.875,
0.0625
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[
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0,
0
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[
0,
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0
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[
0,
0,
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0,
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0
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[
0,
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0
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0,
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[
0,
0.00091656,
0
],
[
0,
-0.00411532,
0
]
] | pbe | true | 38 | agm005266311-pbe-16 | 16 | 1 |
[
"Cd",
"Mg",
"Sn"
] | 16 | A14BC | CdMg14Sn | Mg14 Cd Sn | 3 | [
1,
1,
1
] | 3 | [
[
3.26119835,
-5.50480853,
0
],
[
3.26119835,
5.50480853,
0
],
[
0,
0,
10.18182576
]
] | agm005266311 | [
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3.26119835,
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0
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[
3.26119835,
1.8149216103196748,
0
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4.89001169278354,
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1.851103836018,
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[
3.2611983499999995,
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] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}] | [
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"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Cd",
"Sn"
] | 2024-05-07 00:00:00 | [
0.0625,
0.875,
0.0625
] | [
[
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0,
0
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[
0,
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0
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[
0,
0,
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]
] | -27.662856 | -27.662856 | [
[
0,
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0
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[
0,
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0
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[
0.00090122,
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0
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0.0035492,
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0,
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[
0,
0.00058661,
0
],
[
0,
-0.00289096,
0
]
] | pbe | true | 38 | agm005266311-pbe-17 | 17 | 1 |
[
"Cd",
"Mg",
"Sn"
] | 16 | A14BC | CdMg14Sn | Mg14 Cd Sn | 3 | [
1,
1,
1
] | 3 | [
[
3.25988481,
-5.50381707,
0
],
[
3.25988481,
5.50381707,
0
],
[
0,
0,
10.18235187
]
] | agm005266311 | [
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3.25988481,
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0
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[
3.25988481,
1.8144635174373762,
0
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1.8508419870486141,
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[
3.25988481,
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] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}] | [
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"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Cd",
"Sn"
] | 2024-05-07 00:00:00 | [
0.0625,
0.875,
0.0625
] | [
[
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0,
0
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[
0,
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0
],
[
0,
0,
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]
] | -27.662913 | -27.662913 | [
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0,
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0
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[
0,
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0
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0.0012822,
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0.00043266,
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0,
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0,
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[
0,
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0
],
[
0,
-0.00138689,
0
]
] | pbe | true | 38 | agm005266311-pbe-18 | 18 | 1 |
[
"Cd",
"Mg",
"Sn"
] | 16 | A14BC | CdMg14Sn | Mg14 Cd Sn | 3 | [
1,
1,
1
] | 3 | [
[
3.25907367,
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0
],
[
3.25907367,
5.50320483,
0
],
[
0,
0,
10.18267676
]
] | agm005266311 | [
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5.09133838
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] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}] | [
"Mg",
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"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Cd",
"Sn"
] | 2024-05-07 00:00:00 | [
0.0625,
0.875,
0.0625
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[
0.10853684,
0,
0
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[
0,
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0
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[
0,
0,
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[
0,
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[
0,
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0
],
[
0,
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0
]
] | pbe | true | 38 | agm005266311-pbe-19 | 19 | 1 |
[
"Cd",
"Mg",
"Sn"
] | 16 | A14BC | CdMg14Sn | Mg14 Cd Sn | 3 | [
1,
1,
1
] | 3 | [
[
3.24069499,
-5.51586171,
0
],
[
3.24069499,
5.51586171,
0
],
[
0,
0,
10.19595764
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] | agm005266311 | [
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0
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[
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] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}] | [
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"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Cd",
"Sn"
] | 2024-05-07 00:00:00 | [
0.0625,
0.875,
0.0625
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[
1.55238546,
0,
0
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[
0,
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0
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[
0,
0,
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[
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[
0,
0.01671777,
0
],
[
0,
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0
]
] | pbe | true | 38 | agm005266311-pbe-2 | 2 | 0 |
[
"Cd",
"Mg",
"Sn"
] | 16 | A14BC | CdMg14Sn | Mg14 Cd Sn | 3 | [
1,
1,
1
] | 3 | [
[
3.24807633,
-5.52234399,
0
],
[
3.24807633,
5.52234399,
0
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[
0,
0,
10.15501045
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3.24807633,
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0
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3.24807633,
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[
3.24807633,
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] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}] | [
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"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Cd",
"Sn"
] | 2024-05-07 00:00:00 | [
0.0625,
0.875,
0.0625
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[
0.72905513,
0,
0
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[
0,
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0
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[
0,
0,
1.97635268
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0,
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0
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[
0,
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0
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[
0.00040093,
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0,
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0,
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[
0,
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[
0,
0.01210599,
0
],
[
0,
-0.00774161,
0
]
] | pbe | true | 38 | agm005266311-pbe-3 | 3 | 0 |
[
"Cd",
"Mg",
"Sn"
] | 16 | A14BC | CdMg14Sn | Mg14 Cd Sn | 3 | [
1,
1,
1
] | 3 | [
[
3.25280903,
-5.52035889,
0
],
[
3.25280903,
5.52035889,
0
],
[
0,
0,
10.1637753
]
] | agm005266311 | [
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3.25280903,
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0
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[
3.25280903,
1.8363386625914533,
0
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3.25280903,
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1.8525344019101135,
5.08188765
],
[
3.25280903,
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] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}] | [
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"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Cd",
"Sn"
] | 2024-05-07 00:00:00 | [
0.0625,
0.875,
0.0625
] | [
[
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0,
0
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[
0,
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0
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[
0,
0,
0.94611531
]
] | -27.659951 | -27.659951 | [
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0,
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[
0,
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0
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[
0.00364099,
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0.00196747,
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0,
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[
0,
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0,
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[
0,
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],
[
0,
0.00827682,
0
],
[
0,
-0.00836308,
0
]
] | pbe | true | 38 | agm005266311-pbe-4 | 4 | 0 |
[
"Cd",
"Mg",
"Sn"
] | 16 | A14BC | CdMg14Sn | Mg14 Cd Sn | 3 | [
1,
1,
1
] | 3 | [
[
3.26432255,
-5.51552961,
0
],
[
3.26432255,
5.51552961,
0
],
[
0,
0,
10.18509811
]
] | agm005266311 | [
[
3.26432255,
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0
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[
3.26432255,
1.8320793507978983,
0
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[
1.6256331195483826,
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4.903011980451618,
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1.8538773856801714,
5.092549055
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[
3.26432255,
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] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}] | [
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"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Cd",
"Sn"
] | 2024-05-07 00:00:00 | [
0.0625,
0.875,
0.0625
] | [
[
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0,
0
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[
0,
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0
],
[
0,
0,
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] | -27.664549 | -27.664549 | [
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0,
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[
0,
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0
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[
0.01150835,
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0.00123465,
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[
0.0077935,
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0.0077935,
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[
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[
0,
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[
0,
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[
0,
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0,
0.01428201,
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[
0,
-0.004183,
0
],
[
0,
-0.00924234,
0
]
] | pbe | true | 38 | agm005266311-pbe-5 | 5 | 0 |
[
"Cd",
"Mg",
"Sn"
] | 16 | A14BC | CdMg14Sn | Mg14 Cd Sn | 3 | [
1,
1,
1
] | 3 | [
[
3.25795329,
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0
],
[
3.25795329,
5.50044062,
0
],
[
0,
0,
10.16506772
]
] | agm005266311 | [
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3.2579532900000006,
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0
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],
[
3.25795329,
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] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}] | [
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"Mg",
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"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Cd",
"Sn"
] | 2024-05-07 00:00:00 | [
0.0625,
0.875,
0.0625
] | [
[
0.54727295,
0,
0
],
[
0,
1.21091845,
0
],
[
0,
0,
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]
] | -27.66602 | -27.66602 | [
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0
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[
0,
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[
0.01288022,
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[
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[
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[
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[
0,
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0
],
[
0,
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0
]
] | pbe | true | 38 | agm005266311-pbe-6 | 6 | 0 |
[
"Cd",
"Mg",
"Sn"
] | 16 | A14BC | CdMg14Sn | Mg14 Cd Sn | 3 | [
1,
1,
1
] | 3 | [
[
3.25925958,
-5.50353527,
0
],
[
3.25925958,
5.50353527,
0
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[
0,
0,
10.16917582
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] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}] | [
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"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Cd",
"Sn"
] | 2024-05-07 00:00:00 | [
0.0625,
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0,
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[
0,
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0
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] | pbe | true | 38 | agm005266311-pbe-7 | 7 | 0 |
[
"Cd",
"Mg",
"Sn"
] | 16 | A14BC | CdMg14Sn | Mg14 Cd Sn | 3 | [
1,
1,
1
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[
3.25852532,
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0
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3.25852532,
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0,
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] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}] | [
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"Mg",
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0,
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[
0,
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0
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] | pbe | true | 38 | agm005266311-pbe-8 | 8 | 0 |
[
"Cd",
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"Sn"
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1,
1,
1
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[
3.2565648,
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0
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3.2565648,
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0,
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"Mg",
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] | pbe | true | 38 | agm005266311-pbe-9 | 9 | 0 |
[
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1,
1,
1
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5.504301,
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0,
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