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{
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"results": [
{
"id": "mp-1207775",
"created_at": "2022-09-04T14:41:21.617541Z",
"structure_string": "Y4 Ga18 Rh6\n1.0\n3.798819 -6.560283 0.000000\n3.798819 6.560283 0.000000\n0.000000 0.000000 9.542045\nY Ga Rh\n4 18 6\ndirect\n0.000035 0.666617 0.250000 Y\n0.999965 0.333383 0.750000 Y\n0.666617 0.000035 0.250000 Y\n0.333383 0.999965 0.750000 Y\n0.331047 0.331048 0.563082 Ga\n0.668952 0.668953 0.436918 Ga\n0.668952 0.668953 0.063082 Ga\n0.331047 0.331048 0.936918 Ga\n0.341032 0.546048 0.250000 Ga\n0.658968 0.453952 0.750000 Ga\n0.546048 0.341032 0.250000 Ga\n0.453952 0.658968 0.750000 Ga\n0.000764 0.334653 0.079451 Ga\n0.999236 0.665347 0.920549 Ga\n0.999236 0.665347 0.579451 Ga\n0.334653 0.000764 0.420549 Ga\n0.000764 0.334653 0.420549 Ga\n0.665347 0.999236 0.579451 Ga\n0.665347 0.999236 0.920549 Ga\n0.334653 0.000764 0.079451 Ga\n0.119069 0.119069 0.250000 Ga\n0.880931 0.880931 0.750000 Ga\n0.000000 0.000000 0.000000 Rh\n0.000000 0.000000 0.500000 Rh\n0.670908 0.329092 0.000000 Rh\n0.329092 0.670908 0.000000 Rh\n0.329092 0.670908 0.500000 Rh\n0.670908 0.329092 0.500000 Rh\n",
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"formula_full": "Y4 Ga18 Rh6",
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{
"id": "mp-867246",
"created_at": "2022-09-04T14:45:41.370027Z",
"structure_string": "Tb2 Ga6\n1.0\n3.150327 -5.456527 0.000000\n3.150327 5.456527 0.000000\n0.000000 0.000000 4.570881\nTb Ga\n2 6\ndirect\n0.333333 0.666667 0.750000 Tb\n0.666667 0.333333 0.250000 Tb\n0.147904 0.295807 0.250000 Ga\n0.704193 0.852096 0.250000 Ga\n0.147904 0.852096 0.250000 Ga\n0.852096 0.704193 0.750000 Ga\n0.295807 0.147904 0.750000 Ga\n0.852096 0.147904 0.750000 Ga\n",
"nsites": 8,
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"density": 7.779226025560961,
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"volume": 157.14546572148413,
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"formula_full": "Tb2 Ga6",
"formula_reduced": "TbGa3",
"formula_anonymous": "AB3",
"energy": -31.7661247,
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"updated_at": "2021-11-28T01:37:12.297000Z",
"spacegroup": 194
},
{
"id": "mp-1077883",
"created_at": "2022-09-04T14:48:18.322136Z",
"structure_string": "In2 Rh3 S2\n1.0\n4.857784 -2.849997 0.000000\n4.857784 2.849997 0.000000\n3.185728 0.000000 4.644532\nIn Rh S\n2 3 2\ndirect\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.500000 Rh\n0.500000 0.000000 0.000000 Rh\n0.000000 0.500000 0.000000 Rh\n0.715416 0.715416 0.715416 S\n0.284584 0.284584 0.284584 S\n",
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"elements": [
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"density": 7.77927234672973,
"density_atomic": 0.05443064515400881,
"volume": 128.60402407860218,
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"formula_full": "In2 Rh3 S2",
"formula_reduced": "In2Rh3S2",
"formula_anonymous": "A2B2C3",
"energy": -40.35162552,
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"updated_at": "2021-11-28T01:38:46.189000Z",
"spacegroup": 166
},
{
"id": "mp-1190079",
"created_at": "2022-09-04T14:42:02.672262Z",
"structure_string": "Tb4 Si8 Mo6\n1.0\n6.950402 0.000000 0.000000\n0.000000 6.768149 0.000000\n0.000000 2.238514 6.516166\nTb Si Mo\n4 8 6\ndirect\n0.331537 0.560682 0.809570 Tb\n0.831537 0.939318 0.190430 Tb\n0.668463 0.439318 0.190430 Tb\n0.168463 0.060682 0.809570 Tb\n0.544941 0.869554 0.909211 Si\n0.044941 0.630446 0.090789 Si\n0.455059 0.130446 0.090789 Si\n0.955059 0.369554 0.909211 Si\n0.132251 0.870601 0.494824 Si\n0.632251 0.629399 0.505176 Si\n0.867749 0.129399 0.505176 Si\n0.367749 0.370601 0.494824 Si\n0.500000 0.000000 0.500000 Mo\n0.000000 0.500000 0.500000 Mo\n0.837216 0.750357 0.750715 Mo\n0.337216 0.749643 0.249285 Mo\n0.162784 0.249643 0.249285 Mo\n0.662784 0.250357 0.750715 Mo\n",
"nsites": 18,
"nelements": 3,
"elements": [
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],
"chemical_system": "Mo-Si-Tb",
"density": 7.779277151970358,
"density_atomic": 0.05872195830626163,
"volume": 306.5292868150248,
"volume_molar": 10.255347290347176,
"formula_full": "Tb4 Si8 Mo6",
"formula_reduced": "Tb2Si4Mo3",
"formula_anonymous": "A2B3C4",
"energy": -138.39484353999998,
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"updated_at": "2021-11-28T01:35:33.303000Z",
"spacegroup": 14
},
{
"id": "mp-1234725",
"created_at": "2022-09-04T14:43:40.819388Z",
"structure_string": "Ho2 Mg1 Ag2 W4 O16\n1.0\n0.259297 0.000000 -7.337570\n-4.219788 -5.528303 3.169916\n-4.219788 5.528303 3.169916\nHo Mg Ag W O\n2 1 2 4 16\ndirect\n-0.000000 0.714818 0.285182 Ho\n-0.000000 0.285182 0.714818 Ho\n-0.000000 0.000000 -0.000000 Mg\n0.533950 0.680464 0.680464 Ag\n0.466050 0.319536 0.319536 Ag\n0.976996 0.247338 0.247338 W\n0.023004 0.752662 0.752662 W\n0.500000 0.840624 0.159376 W\n0.500000 0.159376 0.840624 W\n0.760422 0.364149 0.101884 O\n0.239578 0.635851 0.898116 O\n0.239578 0.898116 0.635851 O\n0.760422 0.101884 0.364149 O\n0.657522 0.703102 0.218610 O\n0.342478 0.296898 0.781390 O\n0.342478 0.781390 0.296898 O\n0.657522 0.218610 0.703102 O\n0.906197 0.709351 0.949696 O\n0.093803 0.290649 0.050304 O\n0.093803 0.050304 0.290649 O\n0.906197 0.949696 0.709351 O\n0.669819 0.994292 0.994292 O\n0.330181 0.005708 0.005708 O\n0.844149 0.529200 0.529200 O\n0.155851 0.470800 0.470800 O\n",
"nsites": 25,
"nelements": 5,
"elements": [
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"Mg",
"Ag",
"W",
"O"
],
"chemical_system": "Ag-Ho-Mg-O-W",
"density": 7.779329352832367,
"density_atomic": 0.07501704272331827,
"volume": 333.25760510456655,
"volume_molar": 8.027696829120776,
"formula_full": "Ho2 Mg1 Ag2 W4 O16",
"formula_reduced": "Ho2MgAg2(WO4)4",
"formula_anonymous": "AB2C2D4E16",
"energy": -205.9504959,
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"updated_at": "2021-11-28T01:36:12.724000Z",
"spacegroup": 12
},
{
"id": "mp-684822",
"created_at": "2022-09-04T14:47:21.491844Z",
"structure_string": "Co19 Te34\n1.0\n8.521360 0.000000 0.000000\n-1.625527 -9.239895 0.000000\n-0.912126 0.157580 -14.796974\nCo Te\n19 34\ndirect\n0.911023 0.234132 0.145137 Co\n0.145619 0.943221 0.087976 Co\n0.380514 0.649129 0.029656 Co\n0.619486 0.350871 0.970344 Co\n0.854381 0.056779 0.912024 Co\n0.088977 0.765868 0.854863 Co\n0.320583 0.466760 0.794945 Co\n0.558737 0.177071 0.735685 Co\n0.796754 0.885575 0.675545 Co\n0.028981 0.586972 0.615718 Co\n0.262192 0.297854 0.557674 Co\n0.500000 0.000000 0.500000 Co\n0.558603 0.676648 0.735778 Co\n0.737808 0.702146 0.442326 Co\n0.971019 0.413028 0.384282 Co\n0.203246 0.114425 0.324455 Co\n0.441263 0.822929 0.264315 Co\n0.679417 0.533240 0.205055 Co\n0.441397 0.323352 0.264222 Co\n0.448989 0.413141 0.096166 Te\n0.682700 0.116839 0.038097 Te\n0.612306 0.769301 0.137359 Te\n0.917604 0.822889 0.979226 Te\n0.849706 0.471263 0.078110 Te\n0.150294 0.528737 0.921890 Te\n0.082396 0.177111 0.020774 Te\n0.387694 0.230699 0.862641 Te\n0.317300 0.883161 0.961903 Te\n0.625141 0.943418 0.802703 Te\n0.551011 0.586859 0.903834 Te\n0.860997 0.647833 0.743543 Te\n0.788338 0.294797 0.844395 Te\n0.091204 0.350491 0.684252 Te\n0.026764 0.001998 0.786275 Te\n0.329396 0.058275 0.626118 Te\n0.256718 0.705172 0.726942 Te\n0.566660 0.766063 0.566321 Te\n0.492261 0.410349 0.667831 Te\n0.799109 0.468726 0.508947 Te\n0.729349 0.120995 0.608530 Te\n0.032562 0.175672 0.451182 Te\n0.967438 0.824328 0.548818 Te\n0.270651 0.879005 0.391470 Te\n0.200891 0.531274 0.491053 Te\n0.507739 0.589651 0.332169 Te\n0.433340 0.233937 0.433679 Te\n0.743282 0.294828 0.273058 Te\n0.670604 0.941725 0.373882 Te\n0.973236 0.998002 0.213725 Te\n0.908796 0.649509 0.315748 Te\n0.211662 0.705203 0.155605 Te\n0.139003 0.352167 0.256457 Te\n0.374859 0.056582 0.197297 Te\n",
"nsites": 53,
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],
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"density": 7.779365363838764,
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"volume": 1165.0615239633253,
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"formula_full": "Co19 Te34",
"formula_reduced": "Co19Te34",
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"energy": -266.55905491,
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{
"id": "mp-755239",
"created_at": "2022-09-04T14:48:25.233649Z",
"structure_string": "Ga4 Hg2 O8\n1.0\n0.000000 4.418151 4.418151\n4.418151 0.000000 4.418151\n4.418151 4.418151 0.000000\nGa Hg O\n4 2 8\ndirect\n0.125000 0.125000 0.625000 Ga\n0.125000 0.625000 0.125000 Ga\n0.625000 0.125000 0.125000 Ga\n0.125000 0.125000 0.125000 Ga\n0.750000 0.750000 0.750000 Hg\n0.500000 0.500000 0.500000 Hg\n0.895182 0.895182 0.895182 O\n0.314453 0.895182 0.895182 O\n0.354818 0.354818 0.935547 O\n0.354818 0.935547 0.354818 O\n0.895182 0.314453 0.895182 O\n0.895182 0.895182 0.314453 O\n0.935547 0.354818 0.354818 O\n0.354818 0.354818 0.354818 O\n",
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"elements": [
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"density": 7.779378751908711,
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"volume": 172.4851298323598,
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"formula_full": "Ga4 Hg2 O8",
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{
"id": "mp-3120",
"created_at": "2022-09-04T14:42:16.882399Z",
"structure_string": "Tm8 Cu8 O20\n1.0\n3.458938 0.000000 0.000000\n0.000000 10.818128 0.000000\n0.000000 0.000000 12.434458\nTm Cu O\n8 8 20\ndirect\n0.276484 0.542440 0.829668 Tm\n0.723516 0.457560 0.329668 Tm\n0.223516 0.042440 0.829668 Tm\n0.776484 0.957560 0.329668 Tm\n0.277555 0.707626 0.501779 Tm\n0.722445 0.292374 0.001779 Tm\n0.222445 0.207626 0.501779 Tm\n0.777555 0.792374 0.001779 Tm\n0.844817 0.761603 0.718962 Cu\n0.155183 0.238397 0.218962 Cu\n0.655183 0.261603 0.718962 Cu\n0.344817 0.738397 0.218962 Cu\n0.840355 0.488581 0.612076 Cu\n0.159645 0.511419 0.112076 Cu\n0.659645 0.988581 0.612076 Cu\n0.340355 0.011419 0.112076 Cu\n0.272027 0.922375 0.971994 O\n0.727973 0.077625 0.471994 O\n0.227973 0.422375 0.971994 O\n0.772027 0.577625 0.471994 O\n0.724432 0.929268 0.764275 O\n0.275568 0.070732 0.264275 O\n0.775568 0.429268 0.764275 O\n0.224432 0.570732 0.264275 O\n0.165866 0.624621 0.665637 O\n0.834134 0.375379 0.165637 O\n0.334134 0.124621 0.665637 O\n0.665866 0.875379 0.165637 O\n0.780896 0.821059 0.566421 O\n0.219104 0.178941 0.066421 O\n0.719104 0.321059 0.566421 O\n0.280896 0.678941 0.066421 O\n0.275622 0.827501 0.358987 O\n0.724378 0.172499 0.858987 O\n0.224378 0.327501 0.358987 O\n0.775622 0.672499 0.858987 O\n",
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"formula_full": "Tm8 Cu8 O20",
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{
"id": "mp-1522235",
"created_at": "2022-09-04T14:44:04.016484Z",
"structure_string": "Pr1 Eu1 Hf1 Mn1 O6\n1.0\n-0.000000 -4.049669 -4.049669\n4.049669 -0.000000 -4.049669\n4.049669 -4.049669 0.000000\nPr Eu Hf Mn O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Pr\n0.250000 0.250000 0.250000 Eu\n-0.000000 -0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Mn\n0.748600 0.251400 0.251400 O\n0.251400 0.748600 0.748600 O\n0.748600 0.251400 0.748600 O\n0.251400 0.748600 0.251400 O\n0.748600 0.748600 0.251400 O\n0.251400 0.251400 0.748600 O\n",
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"formula_full": "Pr1 Eu1 Hf1 Mn1 O6",
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{
"id": "mp-11324",
"created_at": "2022-09-04T14:44:20.874804Z",
"structure_string": "Ta1 Se2\n1.0\n1.749516 -3.030250 0.000000\n1.749516 3.030250 0.000000\n0.000000 0.000000 6.821600\nTa Se\n1 2\ndirect\n0.000000 0.000000 0.000000 Ta\n0.666667 0.333333 0.756787 Se\n0.333333 0.666667 0.243213 Se\n",
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"updated_at": "2021-11-28T01:36:35.296000Z",
"spacegroup": 164
},
{
"id": "mp-19989",
"created_at": "2022-09-04T14:45:23.260558Z",
"structure_string": "Ce2 In8 Co1\n1.0\n4.663109 0.000000 0.000000\n0.000000 4.663109 0.000000\n0.000000 0.000000 12.345552\nCe In Co\n2 8 1\ndirect\n0.000000 0.000000 0.696250 Ce\n0.000000 0.000000 0.303750 Ce\n0.500000 0.000000 0.500000 In\n0.500000 0.000000 0.882697 In\n0.000000 0.500000 0.500000 In\n0.000000 0.500000 0.882697 In\n0.500000 0.500000 0.305520 In\n0.500000 0.500000 0.694480 In\n0.000000 0.500000 0.117303 In\n0.500000 0.000000 0.117303 In\n0.000000 0.000000 0.000000 Co\n",
"nsites": 11,
"nelements": 3,
"elements": [
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"In",
"Co"
],
"chemical_system": "Ce-Co-In",
"density": 7.779786628544782,
"density_atomic": 0.04097613931625786,
"volume": 268.44891157512234,
"volume_molar": 14.696701203401636,
"formula_full": "Ce2 In8 Co1",
"formula_reduced": "Ce2In8Co",
"formula_anonymous": "AB2C8",
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"energy_per_atom": -4.030733752727273,
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"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -44.33807128,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:37:01.490000Z",
"spacegroup": 123
},
{
"id": "mp-1189806",
"created_at": "2022-09-04T14:47:36.158772Z",
"structure_string": "Yb4 Cu2 Ge12\n1.0\n4.145006 4.035815 0.000000\n-4.145006 4.035815 0.000000\n0.000000 1.978718 10.787348\nYb Cu Ge\n4 2 12\ndirect\n0.334022 0.834381 0.663430 Yb\n0.834381 0.334022 0.663430 Yb\n0.665978 0.165619 0.336570 Yb\n0.165619 0.665978 0.336570 Yb\n0.302379 0.302379 0.786651 Cu\n0.697621 0.697621 0.213349 Cu\n0.000860 0.000860 0.884217 Ge\n0.999140 0.999140 0.115783 Ge\n0.556773 0.556773 0.884088 Ge\n0.443227 0.443227 0.115912 Ge\n0.859264 0.859264 0.580123 Ge\n0.140736 0.140736 0.419877 Ge\n0.355345 0.355345 0.561228 Ge\n0.644655 0.644655 0.438772 Ge\n0.554762 0.002724 0.884784 Ge\n0.002724 0.554762 0.884784 Ge\n0.445238 0.997276 0.115216 Ge\n0.997276 0.445238 0.115216 Ge\n",
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"elements": [
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"chemical_system": "Cu-Ge-Yb",
"density": 7.779902276007612,
"density_atomic": 0.04987367908256256,
"volume": 360.9118142297503,
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"formula_full": "Yb4 Cu2 Ge12",
"formula_reduced": "Yb2CuGe6",
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"total_magnetization": 4e-05,
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"updated_at": "2021-11-28T01:38:20.478000Z",
"spacegroup": 12
}
]
}