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{
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"results": [
{
"id": "mp-1035009",
"created_at": "2022-09-04T14:48:17.318224Z",
"structure_string": "Mg14 Si1 Ni1 O16\n1.0\n8.501889 0.000000 0.000000\n0.000000 8.595634 0.000000\n0.000000 0.000000 4.260717\nMg Si Ni O\n14 1 1 16\ndirect\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.243668 0.500000 Mg\n0.000000 0.756332 0.500000 Mg\n0.500000 0.248221 0.500000 Mg\n0.500000 0.751779 0.500000 Mg\n0.246415 0.000000 0.500000 Mg\n0.250575 0.500000 0.500000 Mg\n0.753585 0.000000 0.500000 Mg\n0.749425 0.500000 0.500000 Mg\n0.249170 0.244930 0.000000 Mg\n0.249170 0.755070 0.000000 Mg\n0.750830 0.244930 0.000000 Mg\n0.750830 0.755070 0.000000 Mg\n0.000000 0.500000 0.000000 Si\n0.000000 0.000000 0.000000 Ni\n0.257593 0.000000 0.000000 O\n0.242816 0.500000 0.000000 O\n0.742407 0.000000 0.000000 O\n0.757184 0.500000 0.000000 O\n0.248115 0.250722 0.500000 O\n0.248115 0.749278 0.500000 O\n0.751885 0.250722 0.500000 O\n0.751885 0.749278 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.288963 0.000000 O\n0.000000 0.711037 0.000000 O\n0.500000 0.253358 0.000000 O\n0.500000 0.746642 0.000000 O\n",
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"volume": 311.36947514363817,
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"formula_full": "Mg14 Si1 Ni1 O16",
"formula_reduced": "Mg14SiNiO16",
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"energy": -202.04838210000003,
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"spacegroup": 47
},
{
"id": "mp-1520756",
"created_at": "2022-09-04T14:48:16.666231Z",
"structure_string": "Sr2 Nb1 Sb1 O6\n1.0\n0.000000 -4.244345 -4.244345\n4.244345 0.000000 -4.244345\n4.244345 -4.244345 0.000000\nSr Nb Sb O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 0.500000 Sb\n0.763493 0.236507 0.236507 O\n0.236507 0.763493 0.763493 O\n0.763493 0.236507 0.763493 O\n0.236507 0.763493 0.236507 O\n0.763493 0.763493 0.236507 O\n0.236507 0.236507 0.763493 O\n",
"nsites": 10,
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"elements": [
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"Nb",
"Sb",
"O"
],
"chemical_system": "Nb-O-Sb-Sr",
"density": 5.276384686353938,
"density_atomic": 0.06539401008595315,
"volume": 152.91920447845473,
"volume_molar": 9.209009742764769,
"formula_full": "Sr2 Nb1 Sb1 O6",
"formula_reduced": "Sr2NbSbO6",
"formula_anonymous": "ABC2D6",
"energy": -74.74119238,
"energy_per_atom": -7.474119238,
"energy_above_hull": null,
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"energy_uncorrected": -70.61919238,
"band_gap": 0.8047000000000004,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:51.131000Z",
"spacegroup": 225
},
{
"id": "mp-1221598",
"created_at": "2022-09-04T14:48:12.533839Z",
"structure_string": "Mn2 Te2 Pb4 O12\n1.0\n-4.097399 4.097402 -0.000002\n-4.097394 -4.097398 0.000003\n-0.000002 -0.000005 8.189524\nMn Te Pb O\n2 2 4 12\ndirect\n0.999990 0.500001 0.249993 Mn\n0.500009 0.000000 0.749993 Mn\n0.500000 0.000000 0.250001 Te\n0.999999 0.500000 0.750000 Te\n0.000004 0.000001 0.999998 Pb\n0.500000 0.500000 0.500003 Pb\n0.000001 0.999998 0.500003 Pb\n0.500000 0.500001 0.000001 Pb\n0.499999 0.000000 0.488517 O\n0.000000 0.500000 0.988519 O\n0.500000 0.000000 0.011484 O\n0.000000 0.500000 0.511482 O\n0.738442 0.761558 0.250001 O\n0.238438 0.261561 0.750001 O\n0.261557 0.238442 0.250000 O\n0.761561 0.738439 0.750001 O\n0.261557 0.761558 0.250001 O\n0.761561 0.261561 0.750001 O\n0.738442 0.238442 0.250000 O\n0.238438 0.738439 0.750001 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Mn",
"Te",
"Pb",
"O"
],
"chemical_system": "Mn-O-Pb-Te",
"density": 8.368858644854168,
"density_atomic": 0.07273190868332613,
"volume": 274.98247140852254,
"volume_molar": 8.279915746773991,
"formula_full": "Mn2 Te2 Pb4 O12",
"formula_reduced": "MnTe(PbO3)2",
"formula_anonymous": "ABC2D6",
"energy": -131.73703398,
"energy_per_atom": -6.586851699,
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"band_gap": 1.0191,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:37.508000Z",
"spacegroup": 225
},
{
"id": "mp-1031593",
"created_at": "2022-09-04T14:48:16.852121Z",
"structure_string": "Ba1 Mg6 V1 O8\n1.0\n8.854572 0.000000 0.000000\n0.000000 4.661065 0.000000\n0.000000 0.000000 4.661065\nBa Mg V O\n1 6 1 8\ndirect\n0.000000 0.500000 0.500000 Ba\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.267257 0.000000 0.500000 Mg\n0.732743 0.000000 0.500000 Mg\n0.267257 0.500000 0.000000 Mg\n0.732743 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 V\n0.257522 0.000000 0.000000 O\n0.742478 0.000000 0.000000 O\n0.282862 0.500000 0.500000 O\n0.717138 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 16,
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"elements": [
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"V",
"O"
],
"chemical_system": "Ba-Mg-O-V",
"density": 3.9887907370670646,
"density_atomic": 0.08317294709398783,
"volume": 192.37024247703448,
"volume_molar": 7.240504238950204,
"formula_full": "Ba1 Mg6 V1 O8",
"formula_reduced": "BaMg6VO8",
"formula_anonymous": "ABC6D8",
"energy": -100.95745855,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:34.599000Z",
"spacegroup": 123
},
{
"id": "mp-753661",
"created_at": "2022-09-04T14:48:13.048797Z",
"structure_string": "Sb4 O4 F4\n1.0\n6.365215 0.000000 0.000000\n0.000000 5.595414 0.000000\n0.000000 0.583192 5.690713\nSb O F\n4 4 4\ndirect\n0.522405 0.315455 0.728443 Sb\n0.977595 0.815455 0.728443 Sb\n0.022405 0.184545 0.271557 Sb\n0.477595 0.684545 0.271557 Sb\n0.841533 0.122401 0.571203 O\n0.658467 0.622401 0.571203 O\n0.341533 0.377599 0.428797 O\n0.158467 0.877599 0.428797 O\n0.182006 0.046461 0.890441 F\n0.317994 0.546461 0.890441 F\n0.682006 0.453539 0.109559 F\n0.817994 0.953539 0.109559 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
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"O",
"F"
],
"chemical_system": "F-O-Sb",
"density": 5.137197604836239,
"density_atomic": 0.05920648248587442,
"volume": 202.68050889297433,
"volume_molar": 10.171421282182692,
"formula_full": "Sb4 O4 F4",
"formula_reduced": "SbOF",
"formula_anonymous": "ABC",
"energy": -69.6841563,
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"energy_above_hull": null,
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"energy_uncorrected": -65.0881563,
"band_gap": 2.8677,
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"total_magnetization": 1e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:41.504000Z",
"spacegroup": 14
},
{
"id": "mp-1013546",
"created_at": "2022-09-04T14:48:18.985329Z",
"structure_string": "Ca3 Sb2\n1.0\n5.780000 0.000000 0.000000\n0.000000 5.780000 0.000000\n0.000000 0.000000 5.780000\nCa Sb\n3 2\ndirect\n0.000000 0.500000 0.500000 Ca\n0.500000 0.000000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 5,
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"elements": [
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],
"chemical_system": "Ca-Sb",
"density": 3.128047648626174,
"density_atomic": 0.025893245504549356,
"volume": 193.10055200000002,
"volume_molar": 23.25757409955399,
"formula_full": "Ca3 Sb2",
"formula_reduced": "Ca3Sb2",
"formula_anonymous": "A2B3",
"energy": -17.63661801,
"energy_per_atom": -3.527323602,
"energy_above_hull": null,
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"energy_uncorrected": -17.25261801,
"band_gap": 0.0853999999999999,
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"updated_at": "2021-11-28T01:38:57.373000Z",
"spacegroup": 221
},
{
"id": "mp-29363",
"created_at": "2022-09-04T14:48:17.559829Z",
"structure_string": "Rb48 Ga16 P32\n1.0\n9.247146 0.000000 0.000000\n0.000000 14.925561 0.000000\n0.000000 0.000000 25.127016\nRb Ga P\n48 16 32\ndirect\n0.213745 0.682120 0.329942 Rb\n0.713745 0.817880 0.670058 Rb\n0.786255 0.182120 0.170058 Rb\n0.286255 0.317880 0.829942 Rb\n0.786255 0.317880 0.670058 Rb\n0.286255 0.182120 0.329942 Rb\n0.213745 0.817880 0.829942 Rb\n0.713745 0.682120 0.170058 Rb\n0.781292 0.678948 0.428359 Rb\n0.281292 0.821052 0.571641 Rb\n0.218708 0.178948 0.071641 Rb\n0.718708 0.321052 0.928359 Rb\n0.218708 0.321052 0.571641 Rb\n0.718708 0.178948 0.428359 Rb\n0.781292 0.821052 0.928359 Rb\n0.281292 0.678948 0.071641 Rb\n0.890560 0.540285 0.290791 Rb\n0.390560 0.959715 0.709209 Rb\n0.109440 0.040285 0.209209 Rb\n0.609440 0.459715 0.790791 Rb\n0.109440 0.459715 0.709209 Rb\n0.609440 0.040285 0.290791 Rb\n0.890560 0.959715 0.790791 Rb\n0.390560 0.540285 0.209209 Rb\n0.359164 0.594511 0.472776 Rb\n0.859164 0.905489 0.527224 Rb\n0.640836 0.094511 0.027224 Rb\n0.140836 0.405489 0.972776 Rb\n0.640836 0.405489 0.527224 Rb\n0.140836 0.094511 0.472776 Rb\n0.359164 0.905489 0.972776 Rb\n0.859164 0.594511 0.027224 Rb\n0.859426 0.829721 0.275882 Rb\n0.359426 0.670279 0.724118 Rb\n0.140574 0.329721 0.224118 Rb\n0.640574 0.170279 0.775882 Rb\n0.140574 0.170279 0.724118 Rb\n0.640574 0.329721 0.275882 Rb\n0.859426 0.670279 0.775882 Rb\n0.359426 0.829721 0.224118 Rb\n0.459945 0.853003 0.413869 Rb\n0.959945 0.646997 0.586131 Rb\n0.540055 0.353003 0.086131 Rb\n0.040055 0.146997 0.913869 Rb\n0.540055 0.146997 0.586131 Rb\n0.040055 0.353003 0.413869 Rb\n0.459945 0.646997 0.913869 Rb\n0.959945 0.853003 0.086131 Rb\n0.528525 0.545123 0.341128 Ga\n0.028525 0.954877 0.658872 Ga\n0.471475 0.045123 0.158872 Ga\n0.971475 0.454877 0.841128 Ga\n0.471475 0.454877 0.658872 Ga\n0.971475 0.045123 0.341128 Ga\n0.528525 0.954877 0.841128 Ga\n0.028525 0.545123 0.158872 Ga\n0.049172 0.876833 0.401481 Ga\n0.549172 0.623167 0.598519 Ga\n0.950828 0.376833 0.098519 Ga\n0.450828 0.123167 0.901481 Ga\n0.950828 0.123167 0.598519 Ga\n0.450828 0.376833 0.401481 Ga\n0.049172 0.623167 0.901481 Ga\n0.549172 0.876833 0.098519 Ga\n0.185658 0.954064 0.334500 P\n0.685658 0.545936 0.665500 P\n0.814342 0.454064 0.165500 P\n0.314342 0.045936 0.834500 P\n0.814342 0.045936 0.665500 P\n0.314342 0.454064 0.334500 P\n0.185658 0.545936 0.834500 P\n0.685658 0.954064 0.165500 P\n0.078562 0.681033 0.195683 P\n0.578562 0.818967 0.804317 P\n0.921438 0.181033 0.304317 P\n0.421438 0.318967 0.695683 P\n0.921438 0.318967 0.804317 P\n0.421438 0.181033 0.195683 P\n0.078562 0.818967 0.695683 P\n0.578562 0.681033 0.304317 P\n0.675934 0.455790 0.396616 P\n0.175934 0.044210 0.603384 P\n0.324066 0.955790 0.103384 P\n0.824066 0.544210 0.896616 P\n0.324066 0.544210 0.603384 P\n0.824066 0.955790 0.396616 P\n0.675934 0.044210 0.896616 P\n0.175934 0.455790 0.103384 P\n0.118993 0.764341 0.455557 P\n0.618993 0.735659 0.544443 P\n0.881007 0.264341 0.044443 P\n0.381007 0.235659 0.955557 P\n0.881007 0.235659 0.544443 P\n0.381007 0.264341 0.455557 P\n0.118993 0.735659 0.955557 P\n0.618993 0.764341 0.044443 P\n",
"nsites": 96,
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"elements": [
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"Ga",
"P"
],
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"density": 2.973063926688732,
"density_atomic": 0.027681647779846986,
"volume": 3468.001643669879,
"volume_molar": 21.75499380634518,
"formula_full": "Rb48 Ga16 P32",
"formula_reduced": "Rb3GaP2",
"formula_anonymous": "AB2C3",
"energy": -307.15534656,
"energy_per_atom": -3.19953486,
"energy_above_hull": null,
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"band_gap": 0.8513999999999999,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:38:58.562000Z",
"spacegroup": 61
},
{
"id": "mp-1173345",
"created_at": "2022-09-04T14:48:19.312877Z",
"structure_string": "Pa2 In2 O8\n1.0\n-2.665620 2.665620 5.378759\n2.665620 -2.665620 5.378759\n2.665620 2.665620 -5.378759\nPa In O\n2 2 8\ndirect\n0.750000 0.250000 0.500000 Pa\n0.000000 0.000000 0.000000 Pa\n0.250000 0.750000 0.500000 In\n0.500000 0.500000 0.000000 In\n0.629942 0.625000 0.504942 O\n0.120058 0.125000 0.495058 O\n0.375000 0.370058 0.495058 O\n0.375000 0.879942 0.004942 O\n0.629942 0.125000 0.004942 O\n0.875000 0.879942 0.504942 O\n0.875000 0.370058 0.995058 O\n0.120058 0.625000 0.995058 O\n",
"nsites": 12,
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"elements": [
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"In",
"O"
],
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"density": 8.903628834319258,
"density_atomic": 0.07849512628368918,
"volume": 152.87573341344543,
"volume_molar": 7.671993211700032,
"formula_full": "Pa2 In2 O8",
"formula_reduced": "PaInO4",
"formula_anonymous": "ABC4",
"energy": -101.81587631,
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"updated_at": "2021-11-28T01:40:01.416000Z",
"spacegroup": 141
},
{
"id": "mp-1202482",
"created_at": "2022-09-04T14:48:16.529339Z",
"structure_string": "Cd12 H72 S16 N8 O84\n1.0\n0.000000 10.249130 0.000000\n-0.109561 0.000000 10.144997\n19.389085 0.000000 -4.361386\nCd H S N O\n12 72 16 8 84\ndirect\n0.134844 0.946845 0.342712 Cd\n0.634844 0.553155 0.657288 Cd\n0.865156 0.053155 0.657288 Cd\n0.365156 0.446845 0.342712 Cd\n0.847225 0.673062 0.324403 Cd\n0.347225 0.826938 0.675597 Cd\n0.152775 0.326938 0.675597 Cd\n0.652775 0.173062 0.324403 Cd\n0.782711 0.944902 0.059135 Cd\n0.282711 0.555098 0.940865 Cd\n0.217289 0.055098 0.940865 Cd\n0.717289 0.444902 0.059135 Cd\n0.491173 0.795720 0.202312 H\n0.991173 0.704280 0.797688 H\n0.508827 0.204280 0.797688 H\n0.008827 0.295720 0.202312 H\n0.411124 0.718600 0.257026 H\n0.911124 0.781400 0.742974 H\n0.588876 0.281400 0.742974 H\n0.088876 0.218600 0.257026 H\n0.575686 0.724176 0.258152 H\n0.075686 0.775824 0.741848 H\n0.424314 0.275824 0.741848 H\n0.924314 0.224176 0.258152 H\n0.484493 0.865746 0.288741 H\n0.984493 0.634254 0.711259 H\n0.515507 0.134254 0.711259 H\n0.015507 0.365746 0.288741 H\n0.353790 0.313260 0.073760 H\n0.853790 0.186740 0.926240 H\n0.646210 0.686740 0.926240 H\n0.146210 0.813260 0.073760 H\n0.297484 0.272491 0.147476 H\n0.797484 0.227509 0.852524 H\n0.702516 0.727509 0.852524 H\n0.202516 0.772491 0.147476 H\n0.426258 0.374403 0.152406 H\n0.926258 0.125597 0.847594 H\n0.573742 0.625597 0.847594 H\n0.073742 0.874403 0.152406 H\n0.281321 0.433729 0.135649 H\n0.781321 0.066271 0.864351 H\n0.718679 0.566271 0.864351 H\n0.218679 0.933729 0.135649 H\n0.239358 0.943825 0.474773 H\n0.739358 0.556175 0.525227 H\n0.760642 0.056175 0.525227 H\n0.260642 0.443825 0.474773 H\n0.305893 0.066299 0.452557 H\n0.805893 0.433701 0.547443 H\n0.694107 0.933701 0.547443 H\n0.194107 0.566299 0.452557 H\n0.912883 0.919691 0.421248 H\n0.412883 0.580309 0.578752 H\n0.087117 0.080309 0.578752 H\n0.587117 0.419691 0.421248 H\n0.005642 0.799209 0.437496 H\n0.505642 0.700791 0.562504 H\n0.994358 0.200791 0.562504 H\n0.494358 0.299209 0.437496 H\n0.877401 0.437070 0.389064 H\n0.377401 0.062930 0.610936 H\n0.122599 0.562930 0.610936 H\n0.622599 0.937070 0.389064 H\n0.978192 0.551284 0.421848 H\n0.478192 0.948716 0.578152 H\n0.021808 0.448716 0.578152 H\n0.521808 0.051284 0.421848 H\n0.574471 0.058139 0.153483 H\n0.074471 0.441861 0.846517 H\n0.425529 0.941861 0.846517 H\n0.925529 0.558139 0.153483 H\n0.640488 0.181439 0.131591 H\n0.140488 0.318561 0.868409 H\n0.359512 0.818561 0.868409 H\n0.859512 0.681439 0.131591 H\n0.606547 0.951038 0.944463 H\n0.106547 0.548962 0.055537 H\n0.393453 0.048962 0.055537 H\n0.893453 0.451038 0.944463 H\n0.644981 0.100903 0.977473 H\n0.144981 0.399097 0.022527 H\n0.355019 0.899097 0.022527 H\n0.855019 0.600903 0.977473 H\n0.340213 0.111836 0.253273 S\n0.840213 0.388164 0.746727 S\n0.659787 0.888164 0.746727 S\n0.159787 0.611836 0.253273 S\n0.855435 0.931884 0.232156 S\n0.355435 0.568116 0.767844 S\n0.144565 0.068116 0.767844 S\n0.644565 0.431884 0.232156 S\n0.587560 0.688861 0.438572 S\n0.087560 0.811139 0.561428 S\n0.412440 0.311139 0.561428 S\n0.912440 0.188861 0.438572 S\n0.525556 0.720839 0.059835 S\n0.025556 0.779161 0.940165 S\n0.474444 0.279161 0.940165 S\n0.974444 0.220839 0.059835 S\n0.491478 0.776011 0.252115 N\n0.991478 0.723989 0.747885 N\n0.508522 0.223989 0.747885 N\n0.008522 0.276011 0.252115 N\n0.339342 0.347889 0.126606 N\n0.839341 0.152111 0.873394 N\n0.660659 0.652111 0.873394 N\n0.160659 0.847889 0.126606 N\n0.486059 0.111230 0.244689 O\n0.986059 0.388770 0.755311 O\n0.513941 0.888770 0.755311 O\n0.013941 0.611230 0.244689 O\n0.298414 0.226524 0.310899 O\n0.798414 0.273476 0.689101 O\n0.701586 0.773476 0.689101 O\n0.201586 0.726524 0.310899 O\n0.277110 0.122063 0.187518 O\n0.777110 0.377937 0.812482 O\n0.722890 0.877937 0.812482 O\n0.222890 0.622063 0.187518 O\n0.300017 0.982872 0.271578 O\n0.800017 0.517128 0.728422 O\n0.699983 0.017128 0.728422 O\n0.199984 0.482872 0.271578 O\n0.998031 0.944299 0.247919 O\n0.498031 0.555701 0.752081 O\n0.001969 0.055701 0.752081 O\n0.501969 0.444299 0.247919 O\n0.797485 0.070303 0.241936 O\n0.297485 0.429697 0.758064 O\n0.202515 0.929697 0.758064 O\n0.702515 0.570303 0.241936 O\n0.841220 0.859906 0.157481 O\n0.341220 0.640094 0.842519 O\n0.158780 0.140094 0.842519 O\n0.658780 0.359906 0.157481 O\n0.786563 0.857020 0.277340 O\n0.286563 0.642980 0.722660 O\n0.213437 0.142980 0.722660 O\n0.713437 0.357020 0.277340 O\n0.670964 0.761435 0.396666 O\n0.170964 0.738565 0.603334 O\n0.329036 0.238565 0.603334 O\n0.829036 0.261435 0.396666 O\n0.563737 0.783383 0.507463 O\n0.063737 0.716617 0.492537 O\n0.436263 0.216617 0.492537 O\n0.936263 0.283383 0.507463 O\n0.659029 0.566319 0.449742 O\n0.159029 0.933681 0.550258 O\n0.340971 0.433681 0.550258 O\n0.840971 0.066319 0.449742 O\n0.462374 0.647584 0.402590 O\n0.962374 0.852416 0.597410 O\n0.537626 0.352416 0.597410 O\n0.037626 0.147584 0.402590 O\n0.649576 0.753495 0.026255 O\n0.149576 0.746505 0.973745 O\n0.350424 0.246505 0.973745 O\n0.850424 0.253495 0.026255 O\n0.417123 0.718744 0.008521 O\n0.917123 0.781256 0.991479 O\n0.582877 0.281256 0.991479 O\n0.082877 0.218744 0.008521 O\n0.539616 0.585913 0.076991 O\n0.039616 0.914087 0.923009 O\n0.460384 0.414087 0.923009 O\n0.960384 0.085913 0.076991 O\n0.495963 0.826591 0.122615 O\n0.995963 0.673409 0.877385 O\n0.504037 0.173409 0.877385 O\n0.004037 0.326591 0.122615 O\n0.278541 0.972025 0.434455 O\n0.778541 0.527975 0.565545 O\n0.721459 0.027975 0.565545 O\n0.221459 0.472025 0.434455 O\n0.969214 0.839733 0.399443 O\n0.469214 0.660267 0.600557 O\n0.030786 0.160267 0.600557 O\n0.530786 0.339733 0.399443 O\n0.931363 0.511321 0.379012 O\n0.431363 0.988679 0.620988 O\n0.068637 0.488679 0.620988 O\n0.568637 0.011321 0.379012 O\n0.615271 0.085177 0.113838 O\n0.115271 0.414823 0.886162 O\n0.384729 0.914823 0.886162 O\n0.884729 0.585177 0.113838 O\n0.680218 0.007485 0.964778 O\n0.180218 0.492515 0.035222 O\n0.319782 0.992515 0.035222 O\n0.819782 0.507485 0.964778 O\n",
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},
{
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"structure_string": "Ca28 Ge4 N24\n1.0\n6.212284 0.000000 0.000000\n0.000000 10.907620 0.000000\n0.000000 0.000000 13.198626\nCa Ge N\n28 4 24\ndirect\n0.391324 0.295352 0.616956 Ca\n0.143850 0.771620 0.626252 Ca\n0.230826 0.462029 0.021024 Ca\n0.058204 0.500000 0.750000 Ca\n0.230826 0.537971 0.478976 Ca\n0.441796 0.000000 0.250000 Ca\n0.391324 0.704648 0.883044 Ca\n0.356150 0.271620 0.373748 Ca\n0.143850 0.228380 0.873748 Ca\n0.769174 0.537971 0.978976 Ca\n0.891324 0.204648 0.616956 Ca\n0.856150 0.771620 0.126252 Ca\n0.269174 0.962029 0.978976 Ca\n0.608676 0.704648 0.383044 Ca\n0.108676 0.204648 0.116956 Ca\n0.891324 0.795352 0.883044 Ca\n0.730826 0.037971 0.021024 Ca\n0.643850 0.728380 0.626252 Ca\n0.608676 0.295352 0.116956 Ca\n0.269174 0.037971 0.521024 Ca\n0.558204 0.000000 0.750000 Ca\n0.730826 0.962029 0.478976 Ca\n0.108676 0.795352 0.383044 Ca\n0.769174 0.462029 0.521024 Ca\n0.856150 0.228380 0.373748 Ca\n0.941796 0.500000 0.250000 Ca\n0.356150 0.728380 0.126252 Ca\n0.643850 0.271620 0.873748 Ca\n0.433570 0.500000 0.250000 Ge\n0.933570 0.000000 0.250000 Ge\n0.566430 0.500000 0.750000 Ge\n0.066430 0.000000 0.750000 Ge\n0.388204 0.451203 0.859454 N\n0.746489 0.367334 0.706543 N\n0.753511 0.132666 0.206543 N\n0.906384 0.333583 0.994104 N\n0.253511 0.367334 0.206543 N\n0.746489 0.632666 0.793457 N\n0.906384 0.666417 0.505896 N\n0.406384 0.166417 0.994104 N\n0.753511 0.867334 0.293457 N\n0.253511 0.632666 0.293457 N\n0.388204 0.548797 0.640546 N\n0.593616 0.166417 0.494104 N\n0.611796 0.548797 0.140546 N\n0.093616 0.333583 0.494104 N\n0.611796 0.451203 0.359454 N\n0.111796 0.951203 0.140546 N\n0.593616 0.833583 0.005896 N\n0.246489 0.132666 0.706543 N\n0.093616 0.666417 0.005896 N\n0.246489 0.867334 0.793457 N\n0.406384 0.833583 0.505896 N\n0.888204 0.048797 0.859454 N\n0.111796 0.048797 0.359454 N\n0.888204 0.951203 0.640546 N\n",
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{
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"structure_string": "Cd4 Ge4 Bi8 O24\n1.0\n5.709017 0.000000 0.000000\n0.000000 10.351375 0.000000\n0.000000 0.000000 10.586099\nCd Ge Bi O\n4 4 8 24\ndirect\n0.250000 0.386113 0.500000 Cd\n0.750000 0.613887 0.500000 Cd\n0.750000 0.113887 0.000000 Cd\n0.250000 0.886113 0.000000 Cd\n0.250000 0.846354 0.500000 Ge\n0.750000 0.653646 0.000000 Ge\n0.750000 0.153646 0.500000 Ge\n0.250000 0.346354 0.000000 Ge\n0.214943 0.607413 0.241178 Bi\n0.785057 0.392587 0.758822 Bi\n0.714943 0.392587 0.241178 Bi\n0.214943 0.107413 0.258822 Bi\n0.285057 0.607413 0.758822 Bi\n0.785057 0.892587 0.741178 Bi\n0.285057 0.107413 0.741178 Bi\n0.714943 0.892587 0.258822 Bi\n0.125035 0.944192 0.621812 O\n0.965000 0.249629 0.578486 O\n0.013462 0.470357 0.353402 O\n0.035000 0.750371 0.421514 O\n0.625035 0.055808 0.621812 O\n0.986538 0.029643 0.853402 O\n0.513462 0.029643 0.146598 O\n0.486538 0.970357 0.853402 O\n0.874965 0.555808 0.121812 O\n0.374965 0.944192 0.378188 O\n0.535000 0.249629 0.421514 O\n0.986538 0.529643 0.646598 O\n0.465000 0.750371 0.578486 O\n0.486538 0.470357 0.646598 O\n0.874965 0.055808 0.378188 O\n0.465000 0.250371 0.921514 O\n0.035000 0.250371 0.078486 O\n0.013462 0.970357 0.146598 O\n0.513462 0.529643 0.353402 O\n0.374965 0.444192 0.121812 O\n0.125035 0.444192 0.878188 O\n0.965000 0.749629 0.921514 O\n0.625035 0.555808 0.878188 O\n0.535000 0.749629 0.078486 O\n",
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{
"id": "mp-38695",
"created_at": "2022-09-04T14:48:12.563209Z",
"structure_string": "Li2 Tb2 Se4\n1.0\n-2.859250 2.859250 5.785456\n2.859250 -2.859250 5.785456\n2.859250 2.859250 -5.785456\nLi Tb Se\n2 2 4\ndirect\n0.500000 0.500000 0.000000 Li\n0.250000 0.750000 0.500000 Li\n0.000000 0.000000 0.000000 Tb\n0.750000 0.250000 0.500000 Tb\n0.751927 0.751927 0.000000 Se\n0.501927 0.001927 0.500000 Se\n0.248073 0.248073 0.000000 Se\n0.998073 0.498073 0.500000 Se\n",
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],
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"formula_full": "Li2 Tb2 Se4",
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}
]
}