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{
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{
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"formula_full": "U1 Bi4 W1 O12",
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"formula_anonymous": "ABC4D12",
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"spacegroup": 123
},
{
"id": "mp-1103229",
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"structure_string": "Li4 Sm3 Ge4\n1.0\n4.400980 0.000000 0.000000\n0.000000 6.787366 0.000000\n-2.200491 -3.393683 7.304562\nLi Sm Ge\n4 3 4\ndirect\n0.671158 0.981199 0.342315 Li\n0.328842 0.018801 0.657685 Li\n0.328842 0.638884 0.657685 Li\n0.671158 0.361116 0.342315 Li\n0.000000 0.000000 0.000000 Sm\n0.130273 0.630273 0.260545 Sm\n0.869727 0.369727 0.739455 Sm\n0.500000 0.687412 0.000000 Ge\n0.500000 0.312588 0.000000 Ge\n0.786670 0.786670 0.573340 Ge\n0.213330 0.213330 0.426660 Ge\n",
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{
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{
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"structure_string": "Ba10 V10 O28\n1.0\n5.894103 0.000968 -0.000893\n2.946053 5.118190 12.156957\n-0.001680 -10.179732 -0.023419\nBa V O\n10 10 28\ndirect\n0.957119 0.000849 0.000307 Ba\n0.458008 0.999175 0.499712 Ba\n0.110598 0.767183 0.550918 Ba\n0.610976 0.767657 0.051258 Ba\n0.878778 0.232320 0.448695 Ba\n0.378056 0.232836 0.949104 Ba\n0.283161 0.424600 0.379240 Ba\n0.784299 0.424282 0.878667 Ba\n0.708616 0.575756 0.621475 Ba\n0.207366 0.575411 0.120832 Ba\n0.739450 0.500025 0.250085 V\n0.241786 0.500042 0.750134 V\n0.136686 0.714726 0.857340 V\n0.638749 0.711425 0.356897 V\n0.850675 0.288588 0.143043 V\n0.352516 0.285289 0.642631 V\n0.432166 0.129076 0.230987 V\n0.931412 0.128121 0.730866 V\n0.559159 0.871877 0.769065 V\n0.060902 0.870927 0.268939 V\n0.922047 0.601499 0.375204 O\n0.418303 0.603011 0.875222 O\n0.522517 0.396559 0.624543 O\n0.024086 0.398438 0.125048 O\n0.196393 0.606475 0.652624 O\n0.698620 0.602004 0.149566 O\n0.800830 0.398028 0.350541 O\n0.302604 0.393596 0.847446 O\n0.467314 0.596451 0.376474 O\n0.971928 0.598661 0.878378 O\n0.071474 0.401699 0.621995 O\n0.564310 0.403566 0.123326 O\n0.154680 0.179975 0.172319 O\n0.654615 0.177457 0.670622 O\n0.331834 0.822487 0.829261 O\n0.834580 0.819899 0.327495 O\n0.400675 0.192543 0.430427 O\n0.898286 0.194814 0.930643 O\n0.593181 0.805181 0.569295 O\n0.093562 0.807407 0.069446 O\n0.641543 0.199031 0.182322 O\n0.140673 0.196623 0.679557 O\n0.836893 0.803381 0.820432 O\n0.340288 0.801042 0.317673 O\n0.080102 0.989498 0.668164 O\n0.579114 0.990253 0.166547 O\n0.068946 0.009748 0.333430 O\n0.569334 0.010506 0.831798 O\n",
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{
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"created_at": "2022-09-04T14:39:05.227241Z",
"structure_string": "Sr4 Co8 As8 H16 O40\n1.0\n13.109288 0.000000 0.000000\n0.000000 7.590701 0.000000\n0.000000 3.834848 8.399987\nSr Co As H O\n4 8 8 16 40\ndirect\n0.129859 0.994783 0.256302 Sr\n0.870141 0.005217 0.743698 Sr\n0.370141 0.994783 0.756302 Sr\n0.629859 0.005217 0.243698 Sr\n0.251104 0.507498 0.996252 Co\n0.748896 0.492502 0.003748 Co\n0.500000 0.500000 0.000000 Co\n0.248896 0.507498 0.496252 Co\n0.751104 0.492502 0.503748 Co\n0.000000 0.500000 0.500000 Co\n0.500000 0.500000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.132662 0.218803 0.830328 As\n0.632662 0.781197 0.669672 As\n0.881524 0.221220 0.318425 As\n0.367338 0.218803 0.330328 As\n0.118476 0.778780 0.681575 As\n0.867338 0.781197 0.169672 As\n0.618476 0.221220 0.818425 As\n0.381524 0.778780 0.181575 As\n0.415086 0.107208 0.102816 H\n0.874894 0.442180 0.790593 H\n0.915086 0.892792 0.397184 H\n0.872554 0.678424 0.606703 H\n0.872266 0.241897 0.961794 H\n0.584914 0.892792 0.897184 H\n0.127734 0.758103 0.038206 H\n0.125106 0.557820 0.209407 H\n0.372554 0.321576 0.893297 H\n0.627734 0.241897 0.461794 H\n0.627446 0.678424 0.106703 H\n0.372266 0.758103 0.538206 H\n0.084914 0.107208 0.602816 H\n0.374894 0.557820 0.709407 H\n0.625106 0.442180 0.290593 H\n0.127446 0.321576 0.393297 H\n0.861537 0.003642 0.014378 O\n0.138463 0.996358 0.985622 O\n0.272428 0.756774 0.288090 O\n0.376568 0.452398 0.888010 O\n0.623432 0.547602 0.111990 O\n0.258218 0.267188 0.213857 O\n0.887989 0.970995 0.455185 O\n0.638463 0.003642 0.514378 O\n0.968376 0.770047 0.296350 O\n0.992772 0.256443 0.212357 O\n0.122799 0.677142 0.546350 O\n0.376870 0.386461 0.413284 O\n0.377201 0.677142 0.046350 O\n0.622799 0.322858 0.953650 O\n0.124809 0.612265 0.085032 O\n0.241782 0.267188 0.713857 O\n0.492772 0.743557 0.287643 O\n0.876568 0.547602 0.611990 O\n0.624809 0.387735 0.414968 O\n0.875191 0.387735 0.914968 O\n0.112011 0.029005 0.544815 O\n0.123130 0.386461 0.913284 O\n0.758218 0.732812 0.286143 O\n0.612011 0.970995 0.955185 O\n0.877201 0.322858 0.453650 O\n0.387989 0.029005 0.044815 O\n0.375191 0.612265 0.585032 O\n0.007228 0.743557 0.787643 O\n0.772428 0.243226 0.211910 O\n0.876870 0.613539 0.086716 O\n0.727572 0.243226 0.711910 O\n0.227572 0.756774 0.788090 O\n0.361537 0.996358 0.485622 O\n0.741782 0.732812 0.786143 O\n0.623130 0.613539 0.586716 O\n0.031624 0.229953 0.703650 O\n0.507228 0.256443 0.712357 O\n0.123432 0.452398 0.388010 O\n0.531624 0.770047 0.796350 O\n0.468376 0.229953 0.203650 O\n",
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{
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{
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"structure_string": "Pd2 Se2 O6\n1.0\n6.565476 0.000000 0.000000\n0.000000 4.030541 0.000000\n0.000000 0.644800 6.228874\nPd Se O\n2 2 6\ndirect\n0.000000 0.500000 0.500000 Pd\n0.500000 0.500000 0.500000 Pd\n0.750000 0.053974 0.177984 Se\n0.250000 0.946026 0.822016 Se\n0.040954 0.200955 0.781585 O\n0.750000 0.219813 0.442620 O\n0.959046 0.799045 0.218415 O\n0.540954 0.799045 0.218415 O\n0.250000 0.780187 0.557380 O\n0.459046 0.200955 0.781585 O\n",
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{
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{
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"structure_string": "Rb8 Sn2 O8\n1.0\n6.910742 0.000000 0.000000\n2.755021 6.344170 0.000000\n1.852337 2.717859 9.743654\nRb Sn O\n8 2 8\ndirect\n0.745559 0.595075 0.163807 Rb\n0.254441 0.404925 0.836193 Rb\n0.758005 0.236404 0.973438 Rb\n0.241995 0.763596 0.026562 Rb\n0.273065 0.511156 0.439718 Rb\n0.726935 0.488844 0.560282 Rb\n0.778973 0.039301 0.382159 Rb\n0.221027 0.960699 0.617841 Rb\n0.726135 0.844649 0.752783 Sn\n0.273865 0.155351 0.247217 Sn\n0.870202 0.840382 0.905992 O\n0.129798 0.159618 0.094008 O\n0.039441 0.297451 0.373915 O\n0.960559 0.702549 0.626085 O\n0.456964 0.336044 0.189508 O\n0.543036 0.663956 0.810492 O\n0.450780 0.852174 0.350363 O\n0.549220 0.147826 0.649637 O\n",
"nsites": 18,
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"elements": [
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"Sn",
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],
"chemical_system": "O-Rb-Sn",
"density": 4.078199651427183,
"density_atomic": 0.042135791841165136,
"volume": 427.19026303938244,
"volume_molar": 14.292221640692146,
"formula_full": "Rb8 Sn2 O8",
"formula_reduced": "Rb4SnO4",
"formula_anonymous": "AB4C4",
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"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -81.82486236,
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"updated_at": "2021-11-28T01:34:41.496000Z",
"spacegroup": 2
},
{
"id": "mp-1224986",
"created_at": "2022-09-04T14:39:05.203959Z",
"structure_string": "Fe2 Ni2 P12\n1.0\n3.876350 5.471631 0.000000\n-3.876350 5.471631 0.000000\n0.000000 5.468423 5.481689\nFe Ni P\n2 2 12\ndirect\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.500000 0.000000 0.500000 Ni\n0.000000 0.500000 0.500000 Ni\n0.654161 0.654161 0.198068 P\n0.345839 0.345839 0.801932 P\n0.647540 0.647540 0.496314 P\n0.352460 0.352460 0.503686 P\n0.860236 0.151622 0.343411 P\n0.139764 0.848378 0.656589 P\n0.151622 0.860236 0.343411 P\n0.848378 0.139764 0.656589 P\n0.494748 0.796184 0.859940 P\n0.505252 0.203816 0.140060 P\n0.203816 0.505252 0.140060 P\n0.796184 0.494748 0.859940 P\n",
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"elements": [
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],
"chemical_system": "Fe-Ni-P",
"density": 4.290099242081207,
"density_atomic": 0.06880750494171932,
"volume": 232.53277405643712,
"volume_molar": 8.752156854257128,
"formula_full": "Fe2 Ni2 P12",
"formula_reduced": "FeNiP6",
"formula_anonymous": "ABC6",
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"total_magnetization": 1.32e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:33.219000Z",
"spacegroup": 12
},
{
"id": "mp-1102133",
"created_at": "2022-09-04T14:39:05.199125Z",
"structure_string": "Tm8 Pt4\n1.0\n4.723161 0.000000 0.000000\n0.000000 7.068775 0.000000\n0.000000 0.000000 8.659220\nTm Pt\n8 4\ndirect\n0.250000 0.855337 0.922695 Tm\n0.250000 0.355337 0.577305 Tm\n0.750000 0.144663 0.077305 Tm\n0.750000 0.644663 0.422695 Tm\n0.250000 0.987624 0.330792 Tm\n0.250000 0.487624 0.169208 Tm\n0.750000 0.012376 0.669208 Tm\n0.750000 0.512376 0.830792 Tm\n0.250000 0.258718 0.904643 Pt\n0.250000 0.758718 0.595357 Pt\n0.750000 0.741282 0.095357 Pt\n0.750000 0.241282 0.404643 Pt\n",
"nsites": 12,
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"elements": [
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],
"chemical_system": "Pt-Tm",
"density": 12.24452227717114,
"density_atomic": 0.041507403259879755,
"volume": 289.1050525340612,
"volume_molar": 14.508594339894263,
"formula_full": "Tm8 Pt4",
"formula_reduced": "Tm2Pt",
"formula_anonymous": "AB2",
"energy": -71.99240087,
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"updated_at": "2021-11-28T01:34:24.006000Z",
"spacegroup": 62
}
]
}