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{
"id": "mp-1202486",
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"structure_string": "La28 Ru12\n1.0\n6.759538 0.000000 0.000000\n0.000000 7.413550 0.000000\n0.000000 0.000000 23.776226\nLa Ru\n28 12\ndirect\n0.317891 0.819245 0.174695 La\n0.182109 0.319245 0.325305 La\n0.682109 0.180755 0.674695 La\n0.817891 0.680755 0.825305 La\n0.682109 0.180755 0.825305 La\n0.817891 0.680755 0.674695 La\n0.317891 0.819245 0.325305 La\n0.182109 0.319245 0.174695 La\n0.319381 0.830132 0.023870 La\n0.180619 0.330132 0.476130 La\n0.680619 0.169868 0.523870 La\n0.819381 0.669868 0.976130 La\n0.680619 0.169868 0.976130 La\n0.819381 0.669868 0.523870 La\n0.319381 0.830132 0.476130 La\n0.180619 0.330132 0.023870 La\n0.857151 0.682827 0.250000 La\n0.642849 0.182827 0.250000 La\n0.142849 0.317173 0.750000 La\n0.357151 0.817173 0.750000 La\n0.850887 0.949563 0.114715 La\n0.649113 0.449563 0.385285 La\n0.149113 0.050437 0.614715 La\n0.350887 0.550437 0.885285 La\n0.149113 0.050437 0.885285 La\n0.350887 0.550437 0.614715 La\n0.850887 0.949563 0.385285 La\n0.649113 0.449563 0.114715 La\n0.471340 0.519201 0.250000 Ru\n0.028660 0.019201 0.250000 Ru\n0.528660 0.480799 0.750000 Ru\n0.971340 0.980799 0.750000 Ru\n0.028595 0.620522 0.094957 Ru\n0.471405 0.120522 0.405043 Ru\n0.971405 0.379478 0.594957 Ru\n0.528595 0.879478 0.905043 Ru\n0.971405 0.379478 0.905043 Ru\n0.528595 0.879478 0.594957 Ru\n0.028595 0.620522 0.405043 Ru\n0.471405 0.120522 0.094957 Ru\n",
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{
"id": "mp-30565",
"created_at": "2022-09-04T14:48:12.244127Z",
"structure_string": "Th14 Co6\n1.0\n4.875791 -8.445117 0.000000\n4.875791 8.445117 0.000000\n0.000000 0.000000 6.184225\nTh Co\n14 6\ndirect\n0.333333 0.666667 0.049032 Th\n0.666667 0.333333 0.549032 Th\n0.126196 0.873804 0.244507 Th\n0.252393 0.126196 0.744507 Th\n0.873804 0.747607 0.744507 Th\n0.126196 0.252393 0.244507 Th\n0.747607 0.873804 0.244507 Th\n0.873804 0.126196 0.744507 Th\n0.544145 0.455855 0.049627 Th\n0.088289 0.544145 0.549627 Th\n0.455855 0.911711 0.549627 Th\n0.544145 0.088289 0.049627 Th\n0.911711 0.455855 0.049627 Th\n0.455855 0.544145 0.549627 Th\n0.814746 0.185254 0.299522 Co\n0.629493 0.814746 0.799522 Co\n0.185254 0.370507 0.799522 Co\n0.814746 0.629493 0.299522 Co\n0.370507 0.185254 0.299522 Co\n0.185254 0.814746 0.799522 Co\n",
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"elements": [
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"formula_full": "Th14 Co6",
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{
"id": "mp-13870",
"created_at": "2022-09-04T14:48:15.688614Z",
"structure_string": "Ta2 Se4\n1.0\n13.641556 -1.746707 0.000000\n13.641556 1.746707 0.000000\n13.417902 0.000000 3.017108\nTa Se\n2 4\ndirect\n0.916830 0.916830 0.916830 Ta\n0.083127 0.083127 0.083127 Ta\n0.624154 0.624154 0.624154 Se\n0.457374 0.457374 0.457374 Se\n0.209498 0.209498 0.209498 Se\n0.375617 0.375617 0.375617 Se\n",
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{
"id": "mp-1730",
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"structure_string": "Ba2 Ge2\n1.0\n2.548840 -6.088372 0.000000\n2.548840 6.088372 0.000000\n0.000000 0.000000 4.364163\nBa Ge\n2 2\ndirect\n0.136811 0.863189 0.250000 Ba\n0.863189 0.136811 0.750000 Ba\n0.435847 0.564153 0.250000 Ge\n0.564153 0.435847 0.750000 Ge\n",
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{
"id": "mp-21030",
"created_at": "2022-09-04T14:48:15.765694Z",
"structure_string": "Ti6 Sn2\n1.0\n2.956091 -5.120100 0.000000\n2.956091 5.120100 0.000000\n0.000000 0.000000 4.756222\nTi Sn\n6 2\ndirect\n0.835749 0.164251 0.250000 Ti\n0.835749 0.671497 0.250000 Ti\n0.328503 0.164251 0.250000 Ti\n0.164251 0.835749 0.750000 Ti\n0.164251 0.328503 0.750000 Ti\n0.671497 0.835749 0.750000 Ti\n0.333333 0.666667 0.250000 Sn\n0.666667 0.333333 0.750000 Sn\n",
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{
"id": "mp-1185074",
"created_at": "2022-09-04T14:48:12.363009Z",
"structure_string": "La1 Nd3\n1.0\n5.261053 0.000000 0.000000\n0.000000 5.261053 0.000000\n0.000000 0.000000 5.261053\nLa Nd\n1 3\ndirect\n0.000000 0.000000 0.000000 La\n0.000000 0.500000 0.500000 Nd\n0.500000 0.000000 0.500000 Nd\n0.500000 0.500000 0.000000 Nd\n",
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{
"id": "mp-667338",
"created_at": "2022-09-04T14:48:15.602451Z",
"structure_string": "Pb12 N72\n1.0\n6.730475 0.000000 0.000000\n0.000000 11.543127 0.000000\n0.000000 0.000000 16.492396\nPb N\n12 72\ndirect\n0.441540 0.636451 0.750000 Pb\n0.058460 0.136451 0.250000 Pb\n0.340631 0.876793 0.411007 Pb\n0.840631 0.623207 0.088993 Pb\n0.659369 0.123207 0.911007 Pb\n0.159369 0.376793 0.588993 Pb\n0.659369 0.123207 0.588993 Pb\n0.941540 0.863549 0.750000 Pb\n0.159369 0.376793 0.911007 Pb\n0.840631 0.623207 0.411007 Pb\n0.558460 0.363549 0.250000 Pb\n0.340631 0.876793 0.088993 Pb\n0.148855 0.713953 0.865992 N\n0.934329 0.236573 0.998697 N\n0.157974 0.001154 0.909670 N\n0.148855 0.713953 0.634008 N\n0.007558 0.005866 0.627973 N\n0.109452 0.738063 0.933391 N\n0.065671 0.763427 0.001303 N\n0.851145 0.286047 0.134008 N\n0.657974 0.498846 0.909670 N\n0.652552 0.780411 0.321802 N\n0.163466 0.407476 0.250000 N\n0.346463 0.221461 0.750000 N\n0.808260 0.503321 0.946531 N\n0.836534 0.592524 0.750000 N\n0.308260 0.996679 0.946531 N\n0.890548 0.261937 0.433391 N\n0.390548 0.238063 0.066609 N\n0.351145 0.213953 0.365992 N\n0.361890 0.986099 0.250000 N\n0.152552 0.719589 0.321802 N\n0.851145 0.286047 0.365992 N\n0.191740 0.496679 0.446531 N\n0.808260 0.503321 0.553469 N\n0.016186 0.460977 0.250000 N\n0.507558 0.494134 0.627973 N\n0.492442 0.505866 0.127973 N\n0.342026 0.501154 0.409670 N\n0.890548 0.261937 0.066609 N\n0.347448 0.219589 0.678198 N\n0.663466 0.092524 0.250000 N\n0.347448 0.219589 0.821802 N\n0.842026 0.998846 0.090330 N\n0.565671 0.736573 0.001303 N\n0.609452 0.761937 0.933391 N\n0.657974 0.498846 0.590330 N\n0.109452 0.738063 0.566609 N\n0.983814 0.539023 0.750000 N\n0.342026 0.501154 0.090330 N\n0.336534 0.907476 0.750000 N\n0.492442 0.505866 0.372027 N\n0.992442 0.994134 0.127973 N\n0.691740 0.003321 0.446531 N\n0.691740 0.003321 0.053469 N\n0.157974 0.001154 0.590330 N\n0.638110 0.013901 0.750000 N\n0.007558 0.005866 0.872027 N\n0.516186 0.039023 0.250000 N\n0.191740 0.496679 0.053469 N\n0.609452 0.761937 0.566609 N\n0.152552 0.719589 0.178198 N\n0.351145 0.213953 0.134008 N\n0.861890 0.513901 0.250000 N\n0.390548 0.238063 0.433391 N\n0.847448 0.280411 0.821802 N\n0.847448 0.280411 0.678198 N\n0.138110 0.486099 0.750000 N\n0.308260 0.996679 0.553469 N\n0.153537 0.721461 0.250000 N\n0.652552 0.780411 0.178198 N\n0.434329 0.263427 0.501303 N\n0.846463 0.278539 0.750000 N\n0.434329 0.263427 0.998697 N\n0.065671 0.763427 0.498697 N\n0.565671 0.736573 0.498697 N\n0.507558 0.494134 0.872027 N\n0.842026 0.998846 0.409670 N\n0.648855 0.786047 0.634008 N\n0.483814 0.960977 0.750000 N\n0.648855 0.786047 0.865992 N\n0.992442 0.994134 0.372027 N\n0.653537 0.778539 0.250000 N\n0.934329 0.236573 0.501303 N\n",
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{
"id": "mp-27160",
"created_at": "2022-09-04T14:48:03.509807Z",
"structure_string": "W6 Cl30\n1.0\n9.255074 9.372130 0.000000\n-9.255074 9.372130 0.000000\n0.000000 0.675407 6.566239\nW Cl\n6 30\ndirect\n0.771257 0.562840 0.433102 W\n0.437160 0.228743 0.566898 W\n0.228743 0.437160 0.566898 W\n0.562840 0.771257 0.433102 W\n0.104203 0.895797 0.000000 W\n0.895797 0.104203 0.000000 W\n0.682854 0.497903 0.188137 Cl\n0.502097 0.317146 0.811863 Cl\n0.317146 0.502097 0.811863 Cl\n0.497903 0.682854 0.188137 Cl\n0.783872 0.410289 0.615445 Cl\n0.589711 0.216128 0.384555 Cl\n0.929009 0.929009 0.871447 Cl\n0.070991 0.070991 0.128553 Cl\n0.739891 0.113509 0.870887 Cl\n0.886491 0.260109 0.129113 Cl\n0.260109 0.886491 0.129113 Cl\n0.113509 0.739891 0.870887 Cl\n0.835488 0.019879 0.297546 Cl\n0.980121 0.164512 0.702454 Cl\n0.164512 0.980121 0.702454 Cl\n0.019879 0.835488 0.297546 Cl\n0.735629 0.735629 0.255779 Cl\n0.264371 0.264371 0.744221 Cl\n0.550652 0.924131 0.251521 Cl\n0.075869 0.449348 0.748479 Cl\n0.449348 0.075869 0.748479 Cl\n0.924131 0.550652 0.251521 Cl\n0.651696 0.835988 0.677687 Cl\n0.164012 0.348304 0.322313 Cl\n0.348304 0.164012 0.322313 Cl\n0.835988 0.651696 0.677687 Cl\n0.598269 0.598269 0.610032 Cl\n0.401731 0.401731 0.389968 Cl\n0.410289 0.783872 0.615445 Cl\n0.216128 0.589711 0.384555 Cl\n",
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{
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"structure_string": "Sr3 Mg3\n1.0\n3.524513 -5.413170 0.000000\n3.524513 5.413170 0.000000\n0.000000 0.000000 5.872271\nSr Mg\n3 3\ndirect\n0.611149 0.611149 0.000000 Sr\n0.694817 0.062507 0.500000 Sr\n0.062507 0.694817 0.500000 Sr\n0.310072 0.010086 0.000000 Mg\n0.010086 0.310072 0.000000 Mg\n0.311368 0.311368 0.500000 Mg\n",
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{
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"structure_string": "Mg6 Ti6\n1.0\n4.866373 0.000000 0.000000\n0.000000 5.243211 0.000000\n0.000000 0.000000 9.174152\nMg Ti\n6 6\ndirect\n0.000000 0.998749 0.911789 Mg\n0.000000 0.007321 0.583919 Mg\n0.500000 0.334530 0.908752 Mg\n0.000000 0.507321 0.416081 Mg\n0.000000 0.498749 0.088211 Mg\n0.500000 0.834530 0.091248 Mg\n0.000000 0.012996 0.264352 Ti\n0.500000 0.331427 0.572827 Ti\n0.500000 0.315036 0.267008 Ti\n0.000000 0.512996 0.735648 Ti\n0.500000 0.815036 0.732992 Ti\n0.500000 0.831427 0.427173 Ti\n",
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},
{
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"elements": [
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"Al"
],
"chemical_system": "Al-Sm",
"density": 5.345095454765737,
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"volume": 126.95243883662236,
"volume_molar": 12.742090941657176,
"formula_full": "Sm2 Al4",
"formula_reduced": "SmAl2",
"formula_anonymous": "AB2",
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"updated_at": "2021-11-28T01:38:34.335000Z",
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{
"id": "mp-1185172",
"created_at": "2022-09-04T14:48:16.482483Z",
"structure_string": "K3 Th1\n1.0\n-2.813194 2.813194 6.653521\n2.813194 -2.813194 6.653521\n2.813194 2.813194 -6.653521\nK Th\n3 1\ndirect\n0.750000 0.250000 0.500000 K\n0.250000 0.750000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 Th\n",
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"chemical_system": "K-Th",
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"density_atomic": 0.01899105550556849,
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"formula_full": "K3 Th1",
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"updated_at": "2021-11-28T01:38:50.946000Z",
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}
]
}