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{
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"results": [
{
"id": "mp-1221243",
"created_at": "2022-09-04T14:46:14.894685Z",
"structure_string": "Na3 Co4 O8\n1.0\n-1.518163 2.565129 11.014342\n1.518163 -2.565129 11.014342\n1.518163 2.565129 -11.014342\nNa Co O\n3 4 8\ndirect\n0.415998 0.750185 0.665813 Na\n0.915627 0.249815 0.665813 Na\n0.331173 0.000000 0.331173 Na\n0.875638 0.876833 0.998806 Co\n0.374823 0.373108 0.001715 Co\n0.121973 0.123167 0.998806 Co\n0.628607 0.626892 0.001715 Co\n0.003581 0.674811 0.328770 O\n0.501099 0.175530 0.325568 O\n0.743871 0.081815 0.662056 O\n0.260133 0.578434 0.681699 O\n0.580242 0.918185 0.662056 O\n0.103265 0.421566 0.681699 O\n0.150038 0.824470 0.325568 O\n0.653959 0.325189 0.328770 O\n",
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"spacegroup": 44
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{
"id": "mp-752761",
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"structure_string": "Fe4 O3 F5\n1.0\n3.089119 4.791640 0.000000\n-3.089119 4.791640 0.000000\n0.000000 0.359850 4.786486\nFe O F\n4 3 5\ndirect\n0.005741 0.484083 0.510012 Fe\n0.484083 0.005741 0.510012 Fe\n0.500949 0.500949 0.996864 Fe\n0.004829 0.004829 0.992341 Fe\n0.151077 0.151077 0.689118 O\n0.653746 0.653746 0.697697 O\n0.350007 0.350007 0.296649 O\n0.640044 0.157491 0.799668 F\n0.157491 0.640044 0.799668 F\n0.850161 0.850161 0.305006 F\n0.362516 0.839356 0.201482 F\n0.839356 0.362516 0.201482 F\n",
"nsites": 12,
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"O",
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"formula_full": "Fe4 O3 F5",
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"spacegroup": 8
},
{
"id": "mp-20231",
"created_at": "2022-09-04T14:46:14.892375Z",
"structure_string": "Ce2 In2 Pd4\n1.0\n2.345276 -4.062138 0.000000\n2.345276 4.062138 0.000000\n0.000000 0.000000 9.067215\nCe In Pd\n2 2 4\ndirect\n0.666667 0.333333 0.750000 Ce\n0.333333 0.666667 0.250000 Ce\n0.000000 0.000000 0.000000 In\n0.000000 0.000000 0.500000 In\n0.333333 0.666667 0.915678 Pd\n0.666667 0.333333 0.415678 Pd\n0.333333 0.666667 0.584322 Pd\n0.666667 0.333333 0.084322 Pd\n",
"nsites": 8,
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"elements": [
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"formula_full": "Ce2 In2 Pd4",
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"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:37:23.236000Z",
"spacegroup": 194
},
{
"id": "mp-686038",
"created_at": "2022-09-04T14:46:14.915483Z",
"structure_string": "Y2 P6 O18\n1.0\n6.858083 0.000000 0.000000\n2.408331 7.347301 0.000000\n2.495342 1.740935 7.691604\nY P O\n2 6 18\ndirect\n0.138447 0.951618 0.235566 Y\n0.482170 0.344386 0.926515 Y\n0.931502 0.663376 0.063536 P\n0.555180 0.091019 0.347413 P\n0.200038 0.179835 0.599222 P\n0.494601 0.834003 0.691457 P\n0.673696 0.873356 0.949861 P\n0.008328 0.369034 0.897124 P\n0.151442 0.214058 0.999678 O\n0.429163 0.114824 0.217898 O\n0.775578 0.398384 0.942099 O\n0.777026 0.105608 0.288081 O\n0.465281 0.838497 0.063639 O\n0.408871 0.234791 0.470801 O\n0.070074 0.130284 0.515246 O\n0.840860 0.527678 0.211416 O\n0.098279 0.345692 0.695374 O\n0.550794 0.887124 0.485121 O\n0.082178 0.741264 0.465417 O\n0.071946 0.554357 0.893951 O\n0.446896 0.649178 0.763654 O\n0.569106 0.272288 0.692877 O\n0.295316 0.002121 0.741398 O\n0.074542 0.768213 0.080919 O\n0.683815 0.850819 0.751881 O\n0.724873 0.058193 0.919857 O\n",
"nsites": 26,
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"elements": [
"Y",
"P",
"O"
],
"chemical_system": "O-P-Y",
"density": 2.7919758718677063,
"density_atomic": 0.06708506769523181,
"volume": 387.56761963956393,
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"formula_full": "Y2 P6 O18",
"formula_reduced": "Y(PO3)3",
"formula_anonymous": "AB3C9",
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"updated_at": "2021-11-28T01:37:26.856000Z",
"spacegroup": 1
},
{
"id": "mp-999507",
"created_at": "2022-09-04T14:46:14.920413Z",
"structure_string": "Mn2 Sn2\n1.0\n4.068750 0.000000 0.000000\n-2.034375 3.523655 0.000000\n0.000000 0.000000 5.550925\nMn Sn\n2 2\ndirect\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.333254 0.666509 0.250000 Sn\n0.666746 0.333491 0.750000 Sn\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Mn-Sn",
"density": 7.246515838080868,
"density_atomic": 0.05026205554064631,
"volume": 79.58289721687265,
"volume_molar": 11.981485228215483,
"formula_full": "Mn2 Sn2",
"formula_reduced": "MnSn",
"formula_anonymous": "AB",
"energy": -25.75354709,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:37:24.541000Z",
"spacegroup": 194
},
{
"id": "mp-1179303",
"created_at": "2022-09-04T14:46:14.928512Z",
"structure_string": "Th12 Mn46 H32\n1.0\n8.889201 0.000000 0.000000\n0.000000 8.889201 0.000000\n0.000000 0.000000 12.822428\nTh Mn H\n12 46 32\ndirect\n0.500000 0.500000 0.289217 Th\n0.000000 0.000000 0.789217 Th\n0.500000 0.500000 0.710783 Th\n0.000000 0.000000 0.210783 Th\n0.273620 0.726380 0.500000 Th\n0.726380 0.273620 0.500000 Th\n0.226380 0.226380 0.000000 Th\n0.773620 0.773620 0.000000 Th\n0.713053 0.713053 0.500000 Th\n0.286947 0.286947 0.500000 Th\n0.786947 0.213053 0.000000 Th\n0.213053 0.786947 0.000000 Th\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.247087 0.752913 0.748375 Mn\n0.752913 0.247087 0.748375 Mn\n0.252913 0.252913 0.248375 Mn\n0.747087 0.747087 0.248375 Mn\n0.752913 0.247087 0.251625 Mn\n0.247087 0.752913 0.251625 Mn\n0.747087 0.747087 0.751625 Mn\n0.252913 0.252913 0.751625 Mn\n0.136601 0.504308 0.319300 Mn\n0.863399 0.495692 0.319300 Mn\n0.363399 0.004308 0.819300 Mn\n0.636601 0.995692 0.819300 Mn\n0.863399 0.495692 0.680700 Mn\n0.136601 0.504308 0.680700 Mn\n0.636601 0.995692 0.180700 Mn\n0.363399 0.004308 0.180700 Mn\n0.504308 0.136601 0.319300 Mn\n0.495692 0.863399 0.319300 Mn\n0.004308 0.363399 0.819300 Mn\n0.995692 0.636601 0.819300 Mn\n0.495692 0.863399 0.680700 Mn\n0.504308 0.136601 0.680700 Mn\n0.995692 0.636601 0.180700 Mn\n0.004308 0.363399 0.180700 Mn\n0.245438 0.521996 0.139630 Mn\n0.754562 0.478004 0.139630 Mn\n0.254562 0.021996 0.639630 Mn\n0.745438 0.978004 0.639630 Mn\n0.754562 0.478004 0.860370 Mn\n0.245438 0.521996 0.860370 Mn\n0.745438 0.978004 0.360370 Mn\n0.254562 0.021996 0.360370 Mn\n0.521996 0.245438 0.139630 Mn\n0.478004 0.754562 0.139630 Mn\n0.021996 0.254562 0.639630 Mn\n0.978004 0.745438 0.639630 Mn\n0.478004 0.754562 0.860370 Mn\n0.521996 0.245438 0.860370 Mn\n0.978004 0.745438 0.360370 Mn\n0.021996 0.254562 0.360370 Mn\n0.997452 0.740489 0.500000 H\n0.002548 0.259511 0.500000 H\n0.502548 0.240489 0.000000 H\n0.497452 0.759511 0.000000 H\n0.740489 0.997452 0.500000 H\n0.259511 0.002548 0.500000 H\n0.240489 0.502548 0.000000 H\n0.759511 0.497452 0.000000 H\n0.146695 0.853305 0.351786 H\n0.853305 0.146695 0.351786 H\n0.353305 0.353305 0.851786 H\n0.646695 0.646695 0.851786 H\n0.853305 0.146695 0.648214 H\n0.146695 0.853305 0.648214 H\n0.646695 0.646695 0.148214 H\n0.353305 0.353305 0.148214 H\n0.287533 0.507687 0.398957 H\n0.712467 0.492313 0.398957 H\n0.212467 0.007687 0.898957 H\n0.787533 0.992313 0.898957 H\n0.712467 0.492313 0.601043 H\n0.287533 0.507687 0.601043 H\n0.787533 0.992313 0.101043 H\n0.212467 0.007687 0.101043 H\n0.507687 0.287533 0.398957 H\n0.492313 0.712467 0.398957 H\n0.007687 0.212467 0.898957 H\n0.992313 0.787533 0.898957 H\n0.492313 0.712467 0.601043 H\n0.507687 0.287533 0.601043 H\n0.992313 0.787533 0.101043 H\n0.007687 0.212467 0.101043 H\n",
"nsites": 90,
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"elements": [
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"volume": 1013.2012618915487,
"volume_molar": 6.7796006859117,
"formula_full": "Th12 Mn46 H32",
"formula_reduced": "Th6Mn23H16",
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"updated_at": "2021-11-28T01:37:30.595000Z",
"spacegroup": 136
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{
"id": "mp-19761",
"created_at": "2022-09-04T14:46:14.932089Z",
"structure_string": "La2 Ge4\n1.0\n-2.160492 2.160492 7.840547\n2.160492 -2.160492 7.840547\n2.160492 2.160492 -7.840547\nLa Ge\n2 4\ndirect\n0.250000 0.750000 0.500000 La\n0.500000 0.500000 0.000000 La\n0.667876 0.167876 0.500000 Ge\n0.082124 0.082124 0.000000 Ge\n0.832124 0.332124 0.500000 Ge\n0.917876 0.917876 0.000000 Ge\n",
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"formula_full": "La2 Ge4",
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"updated_at": "2021-11-28T01:37:28.613000Z",
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{
"id": "mp-1105343",
"created_at": "2022-09-04T14:46:14.932969Z",
"structure_string": "Sr1 Mn7 O12\n1.0\n-3.771323 3.771323 3.771323\n3.771323 -3.771323 3.771323\n3.771323 3.771323 -3.771323\nSr Mn O\n1 7 12\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.179997 0.869170 0.689173 O\n0.820003 0.130830 0.310827 O\n0.820003 0.509176 0.689173 O\n0.179997 0.490824 0.310827 O\n0.869170 0.689173 0.179997 O\n0.130830 0.310827 0.820003 O\n0.509176 0.689173 0.820003 O\n0.490824 0.310827 0.179997 O\n0.689173 0.179997 0.869170 O\n0.310827 0.820003 0.130830 O\n0.689173 0.820003 0.509176 O\n0.310827 0.179997 0.490824 O\n",
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"elements": [
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"density": 5.140355226079401,
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"volume": 214.55625519454674,
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"formula_full": "Sr1 Mn7 O12",
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"energy": -167.87307999,
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{
"id": "mp-1215711",
"created_at": "2022-09-04T14:46:14.936803Z",
"structure_string": "Zr1 Mn6 Al6\n1.0\n0.000000 0.000000 5.052607\n-4.272679 4.190921 2.526303\n-4.272679 -4.190921 -2.526303\nZr Mn Al\n1 6 6\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.759985 0.759985 Mn\n0.500000 0.240015 0.240015 Mn\n0.656167 0.343833 0.656167 Al\n0.343833 0.656167 0.343833 Al\n0.000000 0.338205 0.338205 Al\n0.000000 0.661795 0.661795 Al\n0.688254 0.811746 0.188254 Al\n0.311746 0.188254 0.811746 Al\n",
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"elements": [
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"volume": 180.94861177153427,
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"formula_full": "Zr1 Mn6 Al6",
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"spacegroup": 71
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{
"id": "mp-504734",
"created_at": "2022-09-04T14:46:14.938796Z",
"structure_string": "Ti12 Co12 O4\n1.0\n0.000000 5.567739 5.567739\n5.567739 0.000000 5.567739\n5.567739 5.567739 0.000000\nTi Co O\n12 12 4\ndirect\n0.939506 0.939506 0.560494 Ti\n0.689506 0.310494 0.310494 Ti\n0.310494 0.689506 0.689506 Ti\n0.689506 0.689506 0.310494 Ti\n0.689506 0.310494 0.689506 Ti\n0.310494 0.689506 0.310494 Ti\n0.560494 0.939506 0.560494 Ti\n0.560494 0.939506 0.939506 Ti\n0.939506 0.560494 0.560494 Ti\n0.939506 0.560494 0.939506 Ti\n0.310494 0.310494 0.689506 Ti\n0.560494 0.560494 0.939506 Ti\n0.125000 0.625000 0.125000 Co\n0.125000 0.125000 0.625000 Co\n0.625000 0.125000 0.125000 Co\n0.125000 0.125000 0.125000 Co\n0.920138 0.239585 0.920138 Co\n0.329862 0.329862 0.010415 Co\n0.010415 0.329862 0.329862 Co\n0.329862 0.329862 0.329862 Co\n0.239585 0.920138 0.920138 Co\n0.920138 0.920138 0.920138 Co\n0.920138 0.920138 0.239585 Co\n0.329862 0.010415 0.329862 Co\n0.625000 0.125000 0.625000 O\n0.625000 0.625000 0.125000 O\n0.125000 0.625000 0.625000 O\n0.625000 0.625000 0.625000 O\n",
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"formula_full": "Ti12 Co12 O4",
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{
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"formula_full": "Zn1 Ga1 O3",
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{
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}
]
}