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{
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{
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"structure_string": "Mn4 Ge8 O24\n1.0\n8.869517 0.000000 0.000000\n0.000000 5.417729 0.000000\n0.000000 2.534226 9.660378\nMn Ge O\n4 8 24\ndirect\n0.659573 0.025678 0.240456 Mn\n0.159573 0.474322 0.759544 Mn\n0.340427 0.974322 0.759544 Mn\n0.840427 0.525678 0.240456 Mn\n0.340240 0.153510 0.053314 Ge\n0.840240 0.346490 0.946686 Ge\n0.659760 0.846490 0.946686 Ge\n0.159760 0.653510 0.053314 Ge\n0.345211 0.879965 0.473055 Ge\n0.845211 0.620035 0.526945 Ge\n0.654789 0.120035 0.526945 Ge\n0.154789 0.379965 0.473055 Ge\n0.276547 0.633260 0.400205 O\n0.776547 0.866740 0.599795 O\n0.723453 0.366740 0.599795 O\n0.223453 0.133260 0.400205 O\n0.300381 0.827323 0.112825 O\n0.800381 0.672677 0.887175 O\n0.699619 0.172677 0.887175 O\n0.199619 0.327323 0.112825 O\n0.962544 0.395384 0.406363 O\n0.462544 0.104616 0.593637 O\n0.037456 0.604616 0.593637 O\n0.537456 0.895384 0.406363 O\n0.983808 0.711047 0.119249 O\n0.483808 0.788953 0.880751 O\n0.016192 0.288953 0.880751 O\n0.516192 0.211047 0.119249 O\n0.327721 0.243606 0.864267 O\n0.827721 0.256394 0.135733 O\n0.672279 0.756394 0.135733 O\n0.172279 0.743606 0.864267 O\n0.315519 0.714182 0.658174 O\n0.815519 0.785818 0.341826 O\n0.684481 0.285818 0.341826 O\n0.184481 0.214182 0.658174 O\n",
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{
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{
"id": "mp-623782",
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"structure_string": "Eu4 Ag4\n1.0\n15.440149 -0.223414 -0.333251\n-0.312012 17.923730 2.477494\n-0.590525 3.047741 27.827933\nEu Ag\n4 4\ndirect\n0.749942 0.866009 0.823373 Eu\n0.250153 0.366406 0.689454 Eu\n0.749751 0.632641 0.318333 Eu\n0.250111 0.135252 0.174702 Eu\n0.250136 0.621776 0.048191 Ag\n0.750007 0.124882 0.447034 Ag\n0.750257 0.374865 0.948052 Ag\n0.249644 0.878170 0.550859 Ag\n",
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{
"id": "mp-1102554",
"created_at": "2022-09-04T14:39:48.716628Z",
"structure_string": "Cu4 Cl4 O4\n1.0\n6.246369 0.000000 0.000000\n0.000000 6.267229 0.000000\n-2.203614 0.000000 4.918629\nCu Cl O\n4 4 4\ndirect\n0.969004 0.383022 0.217705 Cu\n0.030996 0.883022 0.282295 Cu\n0.030996 0.616978 0.782295 Cu\n0.969004 0.116978 0.717705 Cu\n0.685501 0.078871 0.857251 Cl\n0.314499 0.578871 0.642749 Cl\n0.314499 0.921129 0.142749 Cl\n0.685501 0.421129 0.357251 Cl\n0.108524 0.148451 0.457962 O\n0.891476 0.648451 0.042038 O\n0.891476 0.851549 0.542038 O\n0.108524 0.351549 0.957962 O\n",
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"formula_full": "Cu4 Cl4 O4",
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{
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"structure_string": "Mg4 Sn4 O8\n1.0\n3.327407 0.000000 0.000000\n0.964503 8.477854 0.000000\n0.266077 0.284205 9.440684\nMg Sn O\n4 4 8\ndirect\n0.725955 0.317563 0.584191 Mg\n0.274045 0.682437 0.415809 Mg\n0.208540 0.339379 0.270375 Mg\n0.791460 0.660621 0.729625 Mg\n0.208332 0.974989 0.669003 Sn\n0.403016 0.314596 0.898701 Sn\n0.596984 0.685404 0.101299 Sn\n0.791668 0.025011 0.330997 Sn\n0.386958 0.870519 0.243837 O\n0.254886 0.769493 0.795051 O\n0.745114 0.230507 0.204949 O\n0.613042 0.129481 0.756163 O\n0.764883 0.686220 0.521784 O\n0.837110 0.426045 0.769730 O\n0.235117 0.313780 0.478216 O\n0.162890 0.573955 0.230270 O\n",
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{
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{
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"elements": [
"Th",
"Si",
"Ni"
],
"chemical_system": "Ni-Si-Th",
"density": 8.505410944342698,
"density_atomic": 0.05062792723070789,
"volume": 118.51166595579596,
"volume_molar": 11.894898901465053,
"formula_full": "Th2 Si3 Ni1",
"formula_reduced": "Th2Si3Ni",
"formula_anonymous": "AB2C3",
"energy": -41.45690081,
"energy_per_atom": -6.909483468333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.66990081,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.2e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:31.942000Z",
"spacegroup": 187
}
]
}