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{
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"results": [
{
"id": "mp-1179613",
"created_at": "2022-09-04T14:39:09.870925Z",
"structure_string": "Sb14\n1.0\n6.609819 0.000000 0.000000\n2.634222 7.451368 0.000000\n1.359766 3.325983 9.803007\nSb\n14\ndirect\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Sb\n0.500000 0.000000 0.500000 Sb\n0.000000 0.500000 0.000000 Sb\n0.334535 0.080101 0.771984 Sb\n0.665465 0.919899 0.228016 Sb\n0.976796 0.885690 0.741324 Sb\n0.023204 0.114310 0.258676 Sb\n0.326688 0.754161 0.220238 Sb\n0.673312 0.245839 0.779762 Sb\n0.116340 0.488481 0.696872 Sb\n0.883660 0.511519 0.303128 Sb\n0.661050 0.668317 0.767946 Sb\n0.338950 0.331683 0.232054 Sb\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Sb",
"density": 5.862689319284094,
"density_atomic": 0.028996337323487498,
"volume": 482.81960041414527,
"volume_molar": 20.76862568129241,
"formula_full": "Sb14",
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"formula_anonymous": "A",
"energy": -53.13991099,
"energy_per_atom": -3.795707927857143,
"energy_above_hull": null,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:33.966000Z",
"spacegroup": 2
},
{
"id": "mp-1184332",
"created_at": "2022-09-04T14:48:00.612446Z",
"structure_string": "Eu3 Ti1\n1.0\n5.167305 0.000000 0.000000\n0.000000 5.167305 0.000000\n0.000000 0.000000 5.167305\nEu Ti\n3 1\ndirect\n0.000000 0.500000 0.500000 Eu\n0.500000 0.000000 0.500000 Eu\n0.500000 0.500000 0.000000 Eu\n0.000000 0.000000 0.000000 Ti\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"Ti"
],
"chemical_system": "Eu-Ti",
"density": 6.06288912418245,
"density_atomic": 0.028991300785270305,
"volume": 137.97242247344388,
"volume_molar": 20.772233728331663,
"formula_full": "Eu3 Ti1",
"formula_reduced": "Eu3Ti",
"formula_anonymous": "AB3",
"energy": -37.14121478,
"energy_per_atom": -9.285303695,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.14121478,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 24.3703117,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:28.228000Z",
"spacegroup": 221
},
{
"id": "mp-980663",
"created_at": "2022-09-04T14:39:34.508571Z",
"structure_string": "Yb4 Mg2\n1.0\n1.895220 6.270102 0.000000\n-1.895220 6.270102 0.000000\n0.000000 3.572065 8.708327\nYb Mg\n4 2\ndirect\n0.161905 0.161905 0.903501 Yb\n0.838095 0.838095 0.096499 Yb\n0.510012 0.510012 0.295242 Yb\n0.489988 0.489988 0.704758 Yb\n0.192904 0.192904 0.420163 Mg\n0.807096 0.807096 0.579837 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Yb",
"Mg"
],
"chemical_system": "Mg-Yb",
"density": 5.943380327283399,
"density_atomic": 0.028990271960379933,
"volume": 206.96597838750895,
"volume_molar": 20.772970906344945,
"formula_full": "Yb4 Mg2",
"formula_reduced": "Yb2Mg",
"formula_anonymous": "AB2",
"energy": -9.41424639,
"energy_per_atom": -1.5690410650000002,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.41424639,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.73e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.356000Z",
"spacegroup": 12
},
{
"id": "mp-21028",
"created_at": "2022-09-04T14:40:55.935674Z",
"structure_string": "Er3 Tl1 C1\n1.0\n5.566596 0.000000 0.000000\n0.000000 5.566596 0.000000\n0.000000 0.000000 5.566596\nEr Tl C\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Er\n0.500000 0.500000 0.000000 Er\n0.500000 0.000000 0.500000 Er\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 C\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Er",
"Tl",
"C"
],
"chemical_system": "C-Er-Tl",
"density": 6.913657358469097,
"density_atomic": 0.028986841430173913,
"volume": 172.49206030413646,
"volume_molar": 20.77542934267836,
"formula_full": "Er3 Tl1 C1",
"formula_reduced": "Er3TlC",
"formula_anonymous": "ABC3",
"energy": -17.15443362,
"energy_per_atom": -3.4308867239999996,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.15443362,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013847,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:23.238000Z",
"spacegroup": 221
},
{
"id": "mp-1111577",
"created_at": "2022-09-04T14:45:10.382731Z",
"structure_string": "K2 Tl1 In1 Cl6\n1.0\n0.000000 5.566608 5.566608\n5.566608 0.000000 5.566608\n5.566608 5.566608 0.000000\nK Tl In Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 In\n0.771452 0.228548 0.228548 Cl\n0.228548 0.228548 0.771452 Cl\n0.228548 0.771452 0.771452 Cl\n0.228548 0.771452 0.228548 Cl\n0.771452 0.228548 0.771452 Cl\n0.771452 0.771452 0.228548 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Tl",
"In",
"Cl"
],
"chemical_system": "Cl-In-K-Tl",
"density": 2.936699617769308,
"density_atomic": 0.028986653968789546,
"volume": 344.98635167643636,
"volume_molar": 20.775563700743618,
"formula_full": "K2 Tl1 In1 Cl6",
"formula_reduced": "K2TlInCl6",
"formula_anonymous": "ABC2D6",
"energy": -36.036991,
"energy_per_atom": -3.6036991,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -32.352991,
"band_gap": 2.5682,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.84e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:48.998000Z",
"spacegroup": 225
},
{
"id": "mp-1077452",
"created_at": "2022-09-04T14:48:09.943794Z",
"structure_string": "K2 Mn2 Cl2\n1.0\n-3.061836 3.070378 5.504650\n3.061836 -3.070378 5.504650\n3.061836 3.070378 -5.504650\nK Mn Cl\n2 2 2\ndirect\n0.250000 0.241988 0.991988 K\n0.750000 0.758012 0.008012 K\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.750000 0.258553 0.508553 Cl\n0.250000 0.741447 0.491447 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"K",
"Mn",
"Cl"
],
"chemical_system": "Cl-K-Mn",
"density": 2.0775412457285722,
"density_atomic": 0.028985965959145512,
"volume": 206.99672415460452,
"volume_molar": 20.77605682863201,
"formula_full": "K2 Mn2 Cl2",
"formula_reduced": "KMnCl",
"formula_anonymous": "ABC",
"energy": -26.45028463,
"energy_per_atom": -4.408380771666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"formation_energy_per_atom": null,
"energy_uncorrected": -25.222284630000004,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.7910009,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:27.184000Z",
"spacegroup": 74
},
{
"id": "mp-1235117",
"created_at": "2022-09-04T14:48:05.571314Z",
"structure_string": "Li1 P4 Br12 O4\n1.0\n6.684284 -0.277425 -0.073755\n-0.446266 10.103718 -0.125553\n-0.126832 -0.126464 10.750304\nLi P Br O\n1 4 12 4\ndirect\n0.086622 0.050745 0.047812 Li\n0.390176 0.314848 0.244987 P\n0.614062 0.691750 0.745476 P\n0.899984 0.187843 0.744721 P\n0.110463 0.813424 0.245162 P\n0.806371 0.655693 0.586883 Br\n0.881911 0.990799 0.234851 Br\n0.299221 0.835927 0.431106 Br\n0.716325 0.152823 0.912981 Br\n0.200606 0.351696 0.403572 Br\n0.803911 0.662570 0.910737 Br\n0.383237 0.523292 0.742162 Br\n0.703071 0.127259 0.585510 Br\n0.115347 0.033761 0.760566 Br\n0.189499 0.335149 0.077280 Br\n0.305520 0.862023 0.048157 Br\n0.612746 0.485488 0.240268 Br\n0.531778 0.822635 0.744097 O\n0.998308 0.323967 0.740835 O\n0.472216 0.183904 0.242923 O\n0.993209 0.681902 0.235061 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Li",
"P",
"Br",
"O"
],
"chemical_system": "Br-Li-O-P",
"density": 2.644237718925151,
"density_atomic": 0.028985761138431734,
"volume": 724.493653960201,
"volume_molar": 20.77620363750029,
"formula_full": "Li1 P4 Br12 O4",
"formula_reduced": "LiP4(Br3O)4",
"formula_anonymous": "AB4C4D12",
"energy": -89.12124161000001,
"energy_per_atom": -4.243868648095239,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -79.96524161,
"band_gap": 0.3568,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.0010205,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:27.306000Z",
"spacegroup": 1
},
{
"id": "mp-1058119",
"created_at": "2022-09-04T14:40:37.696675Z",
"structure_string": "K1 S1\n1.0\n0.000000 3.255507 3.255507\n3.255507 0.000000 3.255507\n3.255507 3.255507 0.000000\nK S\n1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"K",
"S"
],
"chemical_system": "K-S",
"density": 1.7124554434603938,
"density_atomic": 0.028983050896488907,
"volume": 69.00584783647763,
"volume_molar": 20.778146446720488,
"formula_full": "K1 S1",
"formula_reduced": "KS",
"formula_anonymous": "AB",
"energy": -6.44012583,
"energy_per_atom": -3.220062915,
"energy_above_hull": null,
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"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.93712583,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9999451,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:59.557000Z",
"spacegroup": 225
},
{
"id": "mp-23514",
"created_at": "2022-09-04T14:41:01.275011Z",
"structure_string": "Bi4 S4 I4\n1.0\n4.208100 0.000000 0.000000\n0.000000 8.887051 0.000000\n0.000000 0.000000 11.071342\nBi S I\n4 4 4\ndirect\n0.250000 0.890074 0.876149 Bi\n0.750000 0.109926 0.123851 Bi\n0.250000 0.390074 0.623851 Bi\n0.750000 0.609926 0.376149 Bi\n0.750000 0.838215 0.035094 S\n0.250000 0.661785 0.535094 S\n0.750000 0.338215 0.464906 S\n0.250000 0.161785 0.964906 S\n0.250000 0.978792 0.316927 I\n0.750000 0.521208 0.816927 I\n0.250000 0.478792 0.183073 I\n0.750000 0.021208 0.683073 I\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Bi",
"S",
"I"
],
"chemical_system": "Bi-I-S",
"density": 5.902741328553455,
"density_atomic": 0.028982594147433167,
"volume": 414.0416119742951,
"volume_molar": 20.778473898387553,
"formula_full": "Bi4 S4 I4",
"formula_reduced": "BiSI",
"formula_anonymous": "ABC",
"energy": -46.54919629,
"energy_per_atom": -3.8790996908333333,
"energy_above_hull": null,
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"energy_uncorrected": -43.02119629,
"band_gap": 1.8669,
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"total_magnetization": 0.0027517,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:08.985000Z",
"spacegroup": 62
},
{
"id": "mp-532156",
"created_at": "2022-09-04T14:41:18.639364Z",
"structure_string": "Hg56 Sb32 Br48\n1.0\n13.273047 0.000000 0.000000\n0.000000 13.308170 0.000000\n0.000000 0.266184 26.565195\nHg Sb Br\n56 32 48\ndirect\n0.997773 0.996654 0.749486 Hg\n0.000000 0.000000 0.000000 Hg\n0.002227 0.003346 0.250514 Hg\n0.000000 0.500000 0.500000 Hg\n0.043078 0.335496 0.868332 Hg\n0.040802 0.319414 0.361103 Hg\n0.041477 0.179410 0.111720 Hg\n0.041403 0.181579 0.611780 Hg\n0.177855 0.719155 0.772771 Hg\n0.179150 0.728106 0.270354 Hg\n0.168928 0.763699 0.020264 Hg\n0.180550 0.774506 0.521062 Hg\n0.221022 0.463124 0.157621 Hg\n0.226129 0.456076 0.660244 Hg\n0.233908 0.044869 0.918261 Hg\n0.223437 0.040181 0.408519 Hg\n0.278978 0.963124 0.157621 Hg\n0.266092 0.544869 0.918261 Hg\n0.273871 0.956076 0.660244 Hg\n0.276563 0.540181 0.408519 Hg\n0.331072 0.263699 0.020264 Hg\n0.319450 0.274506 0.521062 Hg\n0.322145 0.219155 0.772771 Hg\n0.320850 0.228106 0.270354 Hg\n0.458523 0.679410 0.111720 Hg\n0.458597 0.681579 0.611780 Hg\n0.459198 0.819414 0.361103 Hg\n0.456922 0.835496 0.868332 Hg\n0.500000 0.500000 0.000000 Hg\n0.502227 0.496654 0.749486 Hg\n0.500000 0.000000 0.500000 Hg\n0.497773 0.503346 0.250514 Hg\n0.540802 0.180586 0.638897 Hg\n0.543078 0.164504 0.131668 Hg\n0.541477 0.320590 0.888280 Hg\n0.541403 0.318421 0.388220 Hg\n0.677855 0.780845 0.227229 Hg\n0.679150 0.771894 0.729646 Hg\n0.668928 0.736301 0.979736 Hg\n0.680550 0.725494 0.478938 Hg\n0.733908 0.455131 0.081739 Hg\n0.721022 0.036876 0.842379 Hg\n0.723437 0.459819 0.591481 Hg\n0.726129 0.043924 0.339756 Hg\n0.766092 0.955131 0.081739 Hg\n0.776563 0.959819 0.591481 Hg\n0.778978 0.536876 0.842379 Hg\n0.773871 0.543924 0.339756 Hg\n0.831072 0.236301 0.979736 Hg\n0.819450 0.225494 0.478938 Hg\n0.822145 0.280845 0.227229 Hg\n0.820850 0.271894 0.729646 Hg\n0.958523 0.820590 0.888280 Hg\n0.956922 0.664504 0.131668 Hg\n0.959198 0.680586 0.638897 Hg\n0.958597 0.818421 0.388220 Hg\n0.150138 0.655917 0.174185 Sb\n0.150261 0.646360 0.676152 Sb\n0.152452 0.850657 0.924785 Sb\n0.150594 0.848610 0.424844 Sb\n0.223725 0.225513 0.864543 Sb\n0.226931 0.227406 0.363204 Sb\n0.226549 0.276714 0.111584 Sb\n0.228380 0.271071 0.614365 Sb\n0.273451 0.776714 0.111584 Sb\n0.271620 0.771071 0.614365 Sb\n0.276275 0.725513 0.864543 Sb\n0.273069 0.727406 0.363204 Sb\n0.347548 0.350657 0.924785 Sb\n0.349862 0.155917 0.174185 Sb\n0.349406 0.348610 0.424844 Sb\n0.349739 0.146360 0.676152 Sb\n0.652452 0.649343 0.075215 Sb\n0.650138 0.844083 0.825815 Sb\n0.650594 0.651390 0.575156 Sb\n0.650261 0.853640 0.323848 Sb\n0.723725 0.274487 0.135457 Sb\n0.726931 0.272594 0.636796 Sb\n0.726549 0.223286 0.888416 Sb\n0.728380 0.228929 0.385635 Sb\n0.773451 0.723286 0.888416 Sb\n0.771620 0.728929 0.385635 Sb\n0.776275 0.774487 0.135457 Sb\n0.773069 0.772594 0.636796 Sb\n0.847548 0.149343 0.075215 Sb\n0.849406 0.151390 0.575156 Sb\n0.849862 0.344083 0.825815 Sb\n0.849739 0.353640 0.323848 Sb\n0.046988 0.961823 0.147495 Br\n0.044980 0.959118 0.644513 Br\n0.057563 0.545160 0.877987 Br\n0.045569 0.541223 0.395834 Br\n0.040851 0.276983 0.972483 Br\n0.041117 0.290812 0.476771 Br\n0.042337 0.212130 0.227760 Br\n0.039016 0.206856 0.726157 Br\n0.210485 0.956175 0.271242 Br\n0.226122 0.553878 0.022696 Br\n0.205445 0.950367 0.768923 Br\n0.208336 0.545471 0.519943 Br\n0.273878 0.053878 0.022696 Br\n0.291664 0.045471 0.519943 Br\n0.294555 0.450367 0.768923 Br\n0.289515 0.456175 0.271242 Br\n0.459149 0.776983 0.972483 Br\n0.457663 0.712130 0.227760 Br\n0.458883 0.790812 0.476771 Br\n0.460984 0.706856 0.726157 Br\n0.442437 0.045160 0.877987 Br\n0.454431 0.041223 0.395834 Br\n0.453012 0.461823 0.147495 Br\n0.455020 0.459118 0.644513 Br\n0.546988 0.538177 0.852505 Br\n0.544980 0.540882 0.355487 Br\n0.557563 0.954840 0.122013 Br\n0.545569 0.958777 0.604166 Br\n0.540851 0.223017 0.027517 Br\n0.542337 0.287870 0.772240 Br\n0.541117 0.209188 0.523229 Br\n0.539016 0.293144 0.273843 Br\n0.705445 0.549633 0.231077 Br\n0.710485 0.543825 0.728758 Br\n0.726122 0.946122 0.977304 Br\n0.708336 0.954529 0.480057 Br\n0.794555 0.049633 0.231077 Br\n0.773878 0.446122 0.977304 Br\n0.789515 0.043825 0.728758 Br\n0.791664 0.454529 0.480057 Br\n0.959149 0.723017 0.027517 Br\n0.960984 0.793144 0.273843 Br\n0.957663 0.787870 0.772240 Br\n0.958883 0.709188 0.523229 Br\n0.942437 0.454840 0.122013 Br\n0.953012 0.038177 0.852505 Br\n0.954431 0.458777 0.604166 Br\n0.955020 0.040882 0.355487 Br\n",
"nsites": 136,
"nelements": 3,
"elements": [
"Hg",
"Sb",
"Br"
],
"chemical_system": "Br-Hg-Sb",
"density": 6.711108882433841,
"density_atomic": 0.02898257230526956,
"volume": 4692.475138767193,
"volume_molar": 20.77848955768865,
"formula_full": "Hg56 Sb32 Br48",
"formula_reduced": "Hg7(Sb2Br3)2",
"formula_anonymous": "A4B6C7",
"energy": -295.75744262,
"energy_per_atom": -2.1746870780882355,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -263.98144262,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0257597,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:18.724000Z",
"spacegroup": 14
},
{
"id": "mp-605809",
"created_at": "2022-09-04T14:41:49.202271Z",
"structure_string": "Ba22 In12 O6\n1.0\n-7.826788 7.826788 5.632887\n7.826788 -7.826788 5.632887\n7.826788 7.826788 -5.632887\nBa In O\n22 12 6\ndirect\n0.577098 0.326836 0.500000 Ba\n0.826836 0.077098 0.500000 Ba\n0.770121 0.729879 0.500000 Ba\n0.229879 0.270121 0.500000 Ba\n0.623591 0.876409 0.000000 Ba\n0.876409 0.876409 0.252818 Ba\n0.123591 0.123591 0.747182 Ba\n0.922902 0.422902 0.749739 Ba\n0.729879 0.229879 0.959757 Ba\n0.376409 0.123591 0.000000 Ba\n0.270121 0.770121 0.040243 Ba\n0.077098 0.577098 0.250261 Ba\n0.623591 0.623591 0.747182 Ba\n0.123591 0.376409 0.000000 Ba\n0.422902 0.673164 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.876409 0.623591 0.000000 Ba\n0.326836 0.826836 0.749739 Ba\n0.173164 0.922902 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.376409 0.376409 0.252818 Ba\n0.673164 0.173164 0.250261 Ba\n0.242699 0.998984 0.241683 In\n0.501016 0.257301 0.758317 In\n0.565708 0.065708 0.631416 In\n0.934292 0.565708 0.500000 In\n0.742699 0.501016 0.243715 In\n0.257301 0.498984 0.756285 In\n0.434292 0.934292 0.368584 In\n0.998984 0.757301 0.756285 In\n0.001016 0.242699 0.243715 In\n0.757301 0.001016 0.758317 In\n0.498984 0.742699 0.241683 In\n0.065708 0.434292 0.500000 In\n0.000000 0.000000 0.500000 O\n0.750000 0.750000 0.000000 O\n0.500000 0.000000 0.000000 O\n0.250000 0.250000 0.000000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.500000 0.000000 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Ba",
"In",
"O"
],
"chemical_system": "Ba-In-O",
"density": 5.40780770905079,
"density_atomic": 0.028980229472573203,
"volume": 1380.251320572043,
"volume_molar": 20.78016934165182,
"formula_full": "Ba22 In12 O6",
"formula_reduced": "Ba11In6O3",
"formula_anonymous": "A3B6C11",
"energy": -149.69322720999998,
"energy_per_atom": -3.7423306802499994,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -145.57122721,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.3097077,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:26.249000Z",
"spacegroup": 140
},
{
"id": "mp-31472",
"created_at": "2022-09-04T14:44:58.825924Z",
"structure_string": "Rb5 Hg19\n1.0\n-6.147603 6.147603 5.478199\n6.147603 -6.147603 5.478199\n6.147603 6.147603 -5.478199\nRb Hg\n5 19\ndirect\n0.500000 0.500000 0.000000 Rb\n0.675888 0.120340 0.796229 Rb\n0.879660 0.675888 0.555548 Rb\n0.120340 0.324112 0.444452 Rb\n0.324112 0.879660 0.203771 Rb\n0.472744 0.654507 0.408178 Hg\n0.246328 0.064566 0.591822 Hg\n0.064566 0.472744 0.818237 Hg\n0.750000 0.250000 0.500000 Hg\n0.250000 0.750000 0.500000 Hg\n0.293373 0.040662 0.906492 Hg\n0.386880 0.293373 0.252711 Hg\n0.040662 0.134170 0.747289 Hg\n0.134170 0.386880 0.093508 Hg\n0.706627 0.959338 0.093508 Hg\n0.613120 0.706627 0.747289 Hg\n0.959338 0.865830 0.252711 Hg\n0.865830 0.613120 0.906492 Hg\n0.000000 0.000000 0.000000 Hg\n0.654507 0.246328 0.181763 Hg\n0.935434 0.527256 0.181763 Hg\n0.753672 0.935434 0.408178 Hg\n0.527256 0.345493 0.591822 Hg\n0.345493 0.753672 0.818237 Hg\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Rb",
"Hg"
],
"chemical_system": "Hg-Rb",
"density": 8.498785775261773,
"density_atomic": 0.028980229363623718,
"volume": 828.1507954566104,
"volume_molar": 20.780169419773646,
"formula_full": "Rb5 Hg19",
"formula_reduced": "Rb5Hg19",
"formula_anonymous": "A5B19",
"energy": -15.80915457,
"energy_per_atom": -0.65871477375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.80915457,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0021443,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:48.192000Z",
"spacegroup": 87
}
]
}