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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=elements&page=10200",
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"results": [
{
"id": "mp-1078743",
"created_at": "2022-09-04T14:45:22.210533Z",
"structure_string": "Rb2 Mn1 Cl4 O2\n1.0\n5.957843 0.000000 0.000000\n0.383500 6.811007 0.000000\n0.663441 3.306506 5.972801\nRb Mn Cl O\n2 1 4 2\ndirect\n0.242988 0.135253 0.172031 Rb\n0.757012 0.864747 0.827969 Rb\n0.000000 0.500000 0.500000 Mn\n0.788342 0.359262 0.851561 Cl\n0.211658 0.640738 0.148439 Cl\n0.236939 0.178348 0.647305 Cl\n0.763061 0.821652 0.352695 Cl\n0.829114 0.358428 0.420944 O\n0.170886 0.641572 0.579056 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Rb",
"Mn",
"Cl",
"O"
],
"chemical_system": "Cl-Mn-O-Rb",
"density": 2.7383434503658868,
"density_atomic": 0.03713334588671232,
"volume": 242.36975648403748,
"volume_molar": 16.217608772375517,
"formula_full": "Rb2 Mn1 Cl4 O2",
"formula_reduced": "Rb2Mn(Cl2O)2",
"formula_anonymous": "AB2C2D4",
"energy": -41.42398919,
"energy_per_atom": -4.602665465555556,
"energy_above_hull": null,
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"energy_uncorrected": -35.92598919,
"band_gap": 0.3581,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:37:00.830000Z",
"spacegroup": 2
},
{
"id": "mp-1104379",
"created_at": "2022-09-04T14:42:56.038653Z",
"structure_string": "Rb2 Mn2 Cl6 O4\n1.0\n6.833440 0.000000 0.000000\n-2.433036 6.512260 0.000000\n-3.136659 -2.120657 8.297830\nRb Mn Cl O\n2 2 6 4\ndirect\n0.728666 0.072675 0.808396 Rb\n0.271334 0.927325 0.191604 Rb\n0.993646 0.664121 0.674078 Mn\n0.006354 0.335879 0.325922 Mn\n0.784068 0.592959 0.826930 Cl\n0.215932 0.407041 0.173070 Cl\n0.213831 0.015306 0.810495 Cl\n0.786169 0.984694 0.189505 Cl\n0.785089 0.298655 0.502840 Cl\n0.214911 0.701345 0.497160 Cl\n0.188763 0.591787 0.804910 O\n0.811237 0.408213 0.195090 O\n0.200095 0.259042 0.455951 O\n0.799905 0.740958 0.544049 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Rb",
"Mn",
"Cl",
"O"
],
"chemical_system": "Cl-Mn-O-Rb",
"density": 2.5071457262686256,
"density_atomic": 0.03791336970159018,
"volume": 369.26287771811553,
"volume_molar": 15.883950193293993,
"formula_full": "Rb2 Mn2 Cl6 O4",
"formula_reduced": "RbMnCl3O2",
"formula_anonymous": "ABC2D3",
"energy": -67.62230555,
"energy_per_atom": -4.830164682142857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -57.85430555,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9999221,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:59.071000Z",
"spacegroup": 2
},
{
"id": "mp-1193478",
"created_at": "2022-09-04T14:45:16.207292Z",
"structure_string": "Rb4 Mn4 Cl12 O8\n1.0\n7.050344 0.000000 0.000000\n0.000000 9.291690 0.000000\n0.000000 0.000000 11.134832\nRb Mn Cl O\n4 4 12 8\ndirect\n0.000000 0.750000 0.635987 Rb\n0.000000 0.250000 0.864013 Rb\n0.000000 0.250000 0.364013 Rb\n0.000000 0.750000 0.135987 Rb\n0.558695 0.500000 0.750000 Mn\n0.441305 0.000000 0.750000 Mn\n0.441305 0.500000 0.250000 Mn\n0.558695 0.000000 0.250000 Mn\n0.772413 0.578630 0.892802 Cl\n0.227587 0.921370 0.892802 Cl\n0.227587 0.078630 0.607198 Cl\n0.772413 0.421370 0.607198 Cl\n0.227587 0.421370 0.107198 Cl\n0.772413 0.078630 0.107198 Cl\n0.772413 0.921370 0.392802 Cl\n0.227587 0.578630 0.392802 Cl\n0.500000 0.750000 0.651993 Cl\n0.500000 0.250000 0.848007 Cl\n0.500000 0.250000 0.348007 Cl\n0.500000 0.750000 0.151993 Cl\n0.279180 0.529351 0.803217 O\n0.720820 0.970649 0.803217 O\n0.720820 0.029351 0.696783 O\n0.279180 0.470649 0.696783 O\n0.720820 0.470649 0.196783 O\n0.279180 0.029351 0.196783 O\n0.279180 0.970649 0.303217 O\n0.720820 0.529351 0.303217 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Rb",
"Mn",
"Cl",
"O"
],
"chemical_system": "Cl-Mn-O-Rb",
"density": 2.53837940182111,
"density_atomic": 0.03838568923050853,
"volume": 729.4385111039221,
"volume_molar": 15.688504962973724,
"formula_full": "Rb4 Mn4 Cl12 O8",
"formula_reduced": "RbMnCl3O2",
"formula_anonymous": "ABC2D3",
"energy": -132.98059021,
"energy_per_atom": -4.749306793214286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -125.02059021,
"band_gap": 0.4841,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 11.9470806,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:54.585000Z",
"spacegroup": 54
},
{
"id": "mp-1219632",
"created_at": "2022-09-04T14:42:05.546396Z",
"structure_string": "Rb6 Mn2 Cr1 Cl12\n1.0\n5.097841 0.000000 0.000000\n0.000000 5.097841 0.000000\n2.548920 2.548920 24.366805\nRb Mn Cr Cl\n6 2 1 12\ndirect\n0.453495 0.453495 0.093010 Rb\n0.786000 0.786000 0.427999 Rb\n0.118957 0.118957 0.762085 Rb\n0.881043 0.881043 0.237915 Rb\n0.214000 0.214000 0.572001 Rb\n0.546505 0.546505 0.906990 Rb\n0.333347 0.333347 0.333305 Mn\n0.666653 0.666653 0.666695 Mn\n0.000000 0.000000 0.000000 Cr\n0.385103 0.385103 0.229793 Cl\n0.718338 0.718338 0.563325 Cl\n0.050184 0.050184 0.899632 Cl\n0.949816 0.949816 0.100368 Cl\n0.281662 0.281662 0.436675 Cl\n0.614897 0.614897 0.770207 Cl\n0.500000 0.000000 0.000000 Cl\n0.833381 0.333381 0.333237 Cl\n0.166619 0.666619 0.666763 Cl\n0.333381 0.833381 0.333237 Cl\n0.666619 0.166619 0.666763 Cl\n0.000000 0.500000 0.000000 Cl\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Rb",
"Mn",
"Cr",
"Cl"
],
"chemical_system": "Cl-Cr-Mn-Rb",
"density": 2.8848020656017845,
"density_atomic": 0.03316256660639838,
"volume": 633.244110724176,
"volume_molar": 18.159453191533398,
"formula_full": "Rb6 Mn2 Cr1 Cl12",
"formula_reduced": "Rb6Mn2CrCl12",
"formula_anonymous": "AB2C6D12",
"energy": -96.70123773,
"energy_per_atom": -4.604820844285714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -89.33323773,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.9999585,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:33.155000Z",
"spacegroup": 139
},
{
"id": "mp-1113808",
"created_at": "2022-09-04T14:44:12.482129Z",
"structure_string": "Rb2 Mn1 Cu1 F6\n1.0\n5.951939 0.000000 0.000000\n2.975970 5.154531 0.000000\n2.975970 1.718177 4.859738\nRb Mn Cu F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Cu\n0.243517 0.756483 0.243517 F\n0.756483 0.756483 0.243517 F\n0.756483 0.243517 0.756483 F\n0.756483 0.243517 0.243517 F\n0.243517 0.756483 0.756483 F\n0.243517 0.243517 0.756483 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Mn",
"Cu",
"F"
],
"chemical_system": "Cu-F-Mn-Rb",
"density": 4.492988869108731,
"density_atomic": 0.06707173125661563,
"volume": 149.09410883908933,
"volume_molar": 8.978657099157562,
"formula_full": "Rb2 Mn1 Cu1 F6",
"formula_reduced": "Rb2MnCuF6",
"formula_anonymous": "ABC2D6",
"energy": -53.34970475,
"energy_per_atom": -5.334970475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.90970475,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.000158,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:30.662000Z",
"spacegroup": 225
},
{
"id": "mp-1219557",
"created_at": "2022-09-04T14:47:58.081362Z",
"structure_string": "Rb1 Mn1 Cu1 S2\n1.0\n-2.001336 2.001336 6.861324\n2.001336 -2.001336 6.861324\n2.001336 2.001336 -6.861324\nRb Mn Cu S\n1 1 1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.250000 0.750000 0.500000 Mn\n0.750000 0.250000 0.500000 Cu\n0.649970 0.649970 0.000000 S\n0.350030 0.350030 0.000000 S\n",
"nsites": 5,
"nelements": 4,
"elements": [
"Rb",
"Mn",
"Cu",
"S"
],
"chemical_system": "Cu-Mn-Rb-S",
"density": 4.049566798249158,
"density_atomic": 0.04548435811553483,
"volume": 109.92790064882303,
"volume_molar": 13.240025823170152,
"formula_full": "Rb1 Mn1 Cu1 S2",
"formula_reduced": "RbMnCuS2",
"formula_anonymous": "ABCD2",
"energy": -27.13349501,
"energy_per_atom": -5.426699002,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.12749501,
"band_gap": 0.2066000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.0010134,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:17.650000Z",
"spacegroup": 119
},
{
"id": "mp-1179714",
"created_at": "2022-09-04T14:43:19.319286Z",
"structure_string": "Rb1 Mn1 Cu3 Se4\n1.0\n6.140881 0.000000 0.000000\n0.000000 6.140881 0.000000\n0.000000 0.000000 6.140881\nRb Mn Cu Se\n1 1 3 4\ndirect\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.216964 0.216964 0.216964 Se\n0.783036 0.783036 0.216964 Se\n0.216964 0.783036 0.783036 Se\n0.783036 0.216964 0.783036 Se\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Rb",
"Mn",
"Cu",
"Se"
],
"chemical_system": "Cu-Mn-Rb-Se",
"density": 4.638561917999933,
"density_atomic": 0.038864265536639166,
"volume": 231.57519834036947,
"volume_molar": 15.49531601034026,
"formula_full": "Rb1 Mn1 Cu3 Se4",
"formula_reduced": "RbMnCu3Se4",
"formula_anonymous": "ABC3D4",
"energy": -41.16919812,
"energy_per_atom": -4.574355346666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -39.28119812,
"band_gap": 0.1044,
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"is_magnetic": true,
"total_magnetization": 2.9996298,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:12.658000Z",
"spacegroup": 215
},
{
"id": "mp-1113488",
"created_at": "2022-09-04T14:44:04.487234Z",
"structure_string": "Rb2 Mn1 Hg1 F6\n1.0\n6.301278 0.000000 0.000000\n3.150639 5.457067 0.000000\n3.150639 1.819022 5.144972\nRb Mn Hg F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Hg\n0.233060 0.766940 0.233060 F\n0.766940 0.766940 0.233060 F\n0.766940 0.233060 0.766940 F\n0.766940 0.233060 0.233060 F\n0.233060 0.766940 0.766940 F\n0.233060 0.233060 0.766940 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Mn",
"Hg",
"F"
],
"chemical_system": "F-Hg-Mn-Rb",
"density": 5.072673881759817,
"density_atomic": 0.05652350158807461,
"volume": 176.91756028982132,
"volume_molar": 10.654224509810906,
"formula_full": "Rb2 Mn1 Hg1 F6",
"formula_reduced": "Rb2MnHgF6",
"formula_anonymous": "ABC2D6",
"energy": -49.1178564,
"energy_per_atom": -4.91178564,
"energy_above_hull": null,
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"energy_uncorrected": -44.67785640000001,
"band_gap": 0.3673,
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"is_magnetic": true,
"total_magnetization": 4.9999587,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:22.942000Z",
"spacegroup": 225
},
{
"id": "mp-1219695",
"created_at": "2022-09-04T14:47:23.340210Z",
"structure_string": "Rb8 Mn2 Mo6 O24\n1.0\n3.111294 -5.388920 0.000000\n3.111294 5.388920 0.000000\n0.000000 0.000000 24.224487\nRb Mn Mo O\n8 2 6 24\ndirect\n0.666667 0.333333 0.970551 Rb\n0.666667 0.333333 0.525661 Rb\n0.333333 0.666667 0.470551 Rb\n0.333333 0.666667 0.025661 Rb\n0.333333 0.666667 0.845376 Rb\n0.333333 0.666667 0.657509 Rb\n0.666667 0.333333 0.345376 Rb\n0.666667 0.333333 0.157509 Rb\n0.000000 0.000000 0.749925 Mn\n0.000000 0.000000 0.249925 Mn\n0.000000 0.000000 0.909963 Mo\n0.000000 0.000000 0.589984 Mo\n0.000000 0.000000 0.409963 Mo\n0.000000 0.000000 0.089984 Mo\n0.666667 0.333333 0.772254 Mo\n0.333333 0.666667 0.272254 Mo\n0.000000 0.000000 0.834441 O\n0.000000 0.000000 0.665193 O\n0.000000 0.000000 0.334441 O\n0.000000 0.000000 0.165193 O\n0.689365 0.817261 0.935072 O\n0.182739 0.872104 0.935072 O\n0.127896 0.310635 0.935072 O\n0.687408 0.813598 0.566140 O\n0.186402 0.873810 0.566140 O\n0.126190 0.312592 0.566140 O\n0.310635 0.127896 0.435072 O\n0.817261 0.689365 0.435072 O\n0.872104 0.182739 0.435072 O\n0.312592 0.126190 0.066140 O\n0.813598 0.687408 0.066140 O\n0.873810 0.186402 0.066140 O\n0.666667 0.333333 0.844996 O\n0.333333 0.666667 0.344996 O\n0.683460 0.619162 0.748674 O\n0.380838 0.064298 0.748674 O\n0.935702 0.316540 0.748674 O\n0.316540 0.935702 0.248674 O\n0.619162 0.683460 0.248674 O\n0.064298 0.380838 0.248674 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Rb",
"Mn",
"Mo",
"O"
],
"chemical_system": "Mn-Mo-O-Rb",
"density": 3.5839678793682683,
"density_atomic": 0.04924165249878718,
"volume": 812.3204232633175,
"volume_molar": 12.22976982778619,
"formula_full": "Rb8 Mn2 Mo6 O24",
"formula_reduced": "Rb4Mn(MoO4)3",
"formula_anonymous": "AB3C4D12",
"energy": -296.81591604,
"energy_per_atom": -7.420397900999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -257.77991604,
"band_gap": 3.1284,
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"is_magnetic": true,
"total_magnetization": 10.020732,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:03.509000Z",
"spacegroup": 159
},
{
"id": "mp-1196652",
"created_at": "2022-09-04T14:40:22.706068Z",
"structure_string": "Rb8 Mn8 Mo12 O48\n1.0\n11.211387 0.000000 0.000000\n0.000000 11.211387 0.000000\n0.000000 0.000000 11.211387\nRb Mn Mo O\n8 8 12 48\ndirect\n0.547129 0.952871 0.047129 Rb\n0.952871 0.047129 0.547129 Rb\n0.452871 0.452871 0.452871 Rb\n0.047129 0.547129 0.952871 Rb\n0.680634 0.680634 0.680634 Rb\n0.319366 0.180634 0.819366 Rb\n0.180634 0.819366 0.319366 Rb\n0.819366 0.319366 0.180634 Rb\n0.388632 0.611368 0.111368 Mn\n0.888632 0.888632 0.888632 Mn\n0.111368 0.388632 0.611368 Mn\n0.611368 0.111368 0.388632 Mn\n0.837100 0.662900 0.337100 Mn\n0.662900 0.337100 0.837100 Mn\n0.162900 0.162900 0.162900 Mn\n0.337100 0.837100 0.662900 Mn\n0.703413 0.620898 0.024401 Mo\n0.975599 0.203413 0.879102 Mo\n0.120898 0.475599 0.296587 Mo\n0.203413 0.879102 0.975599 Mo\n0.475599 0.296587 0.120898 Mo\n0.620898 0.024401 0.703413 Mo\n0.296587 0.120898 0.475599 Mo\n0.024401 0.703413 0.620898 Mo\n0.879102 0.975599 0.203413 Mo\n0.796587 0.379102 0.524401 Mo\n0.524401 0.796587 0.379102 Mo\n0.379102 0.524401 0.796587 Mo\n0.754767 0.603342 0.174620 O\n0.825380 0.254767 0.896658 O\n0.103342 0.325380 0.245233 O\n0.254767 0.896658 0.825380 O\n0.325380 0.245233 0.103342 O\n0.603342 0.174620 0.754767 O\n0.245233 0.103342 0.325380 O\n0.174620 0.754767 0.603342 O\n0.896658 0.825380 0.254767 O\n0.745233 0.396658 0.674620 O\n0.674620 0.745233 0.396658 O\n0.396658 0.674620 0.745233 O\n0.792644 0.728595 0.944872 O\n0.055128 0.292644 0.771405 O\n0.228595 0.555128 0.207356 O\n0.292644 0.771405 0.055128 O\n0.555128 0.207356 0.228595 O\n0.728595 0.944872 0.792644 O\n0.207356 0.228595 0.555128 O\n0.944872 0.792644 0.728595 O\n0.771405 0.055128 0.292644 O\n0.707356 0.271405 0.444872 O\n0.444872 0.707356 0.271405 O\n0.271405 0.444872 0.707356 O\n0.549964 0.670254 0.018909 O\n0.981091 0.049964 0.829746 O\n0.170254 0.481091 0.450036 O\n0.049964 0.829746 0.981091 O\n0.481091 0.450036 0.170254 O\n0.670254 0.018909 0.549964 O\n0.450036 0.170254 0.481091 O\n0.018909 0.549964 0.670254 O\n0.829746 0.981091 0.049964 O\n0.950036 0.329746 0.518909 O\n0.518909 0.950036 0.329746 O\n0.329746 0.518909 0.950036 O\n0.723704 0.480245 0.951000 O\n0.049000 0.223704 0.019755 O\n0.980245 0.549000 0.276296 O\n0.223704 0.019755 0.049000 O\n0.549000 0.276296 0.980245 O\n0.480245 0.951000 0.723704 O\n0.276296 0.980245 0.549000 O\n0.951000 0.723704 0.480245 O\n0.019755 0.049000 0.223704 O\n0.776296 0.519755 0.451000 O\n0.451000 0.776296 0.519755 O\n0.519755 0.451000 0.776296 O\n",
"nsites": 76,
"nelements": 4,
"elements": [
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"Mn",
"Mo",
"O"
],
"chemical_system": "Mn-Mo-O-Rb",
"density": 3.5851007189244006,
"density_atomic": 0.05393063827545423,
"volume": 1409.2175140191198,
"volume_molar": 11.166455566947914,
"formula_full": "Rb8 Mn8 Mo12 O48",
"formula_reduced": "Rb2Mn2(MoO4)3",
"formula_anonymous": "A2B2C3D12",
"energy": -599.9362942,
"energy_per_atom": -7.893898607894737,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -515.1922942,
"band_gap": 2.1965,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 23.906546,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:46.435000Z",
"spacegroup": 198
},
{
"id": "mp-1189161",
"created_at": "2022-09-04T14:47:28.239343Z",
"structure_string": "Rb4 Mn2 O2 F10\n1.0\n4.332569 4.671937 0.000000\n-4.332569 4.671937 0.000000\n0.000000 0.000000 8.281632\nRb Mn O F\n4 2 2 10\ndirect\n0.020413 0.509650 0.250000 Rb\n0.490350 0.979587 0.750000 Rb\n0.979587 0.490350 0.750000 Rb\n0.509650 0.020413 0.250000 Rb\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.524679 0.524679 0.250000 O\n0.475320 0.475320 0.750000 O\n0.993342 0.993342 0.250000 F\n0.006658 0.006658 0.750000 F\n0.783976 0.216024 0.500000 F\n0.783976 0.216024 0.000000 F\n0.216024 0.783976 0.500000 F\n0.216024 0.783976 0.000000 F\n0.200514 0.200514 0.493569 F\n0.799486 0.799486 0.506431 F\n0.200514 0.200514 0.006431 F\n0.799486 0.799486 0.993569 F\n",
"nsites": 18,
"nelements": 4,
"elements": [
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"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O-Rb",
"density": 3.336926742343926,
"density_atomic": 0.053688851690182074,
"volume": 335.265132952948,
"volume_molar": 11.216743458682041,
"formula_full": "Rb4 Mn2 O2 F10",
"formula_reduced": "Rb2MnOF5",
"formula_anonymous": "ABC2D5",
"energy": -94.78664414,
"energy_per_atom": -5.265924674444445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -85.45664414,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 10.8662659,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:13.625000Z",
"spacegroup": 63
},
{
"id": "mp-560306",
"created_at": "2022-09-04T14:48:23.952314Z",
"structure_string": "Rb4 Mn16 P12 O48\n1.0\n6.532987 0.000000 0.000000\n0.000000 10.044982 0.000000\n0.000000 0.000000 16.979676\nRb Mn P O\n4 16 12 48\ndirect\n0.000000 0.706755 0.532838 Rb\n0.500000 0.793245 0.032838 Rb\n0.000000 0.293245 0.467162 Rb\n0.500000 0.206755 0.967162 Rb\n0.000000 0.020419 0.860496 Mn\n0.748610 0.248276 0.203677 Mn\n0.000000 0.539904 0.095643 Mn\n0.500000 0.520419 0.639504 Mn\n0.500000 0.039904 0.404357 Mn\n0.500000 0.960096 0.595643 Mn\n0.000000 0.979581 0.139504 Mn\n0.748610 0.751724 0.796323 Mn\n0.000000 0.460096 0.904357 Mn\n0.248610 0.748276 0.296323 Mn\n0.500000 0.479581 0.360496 Mn\n0.251390 0.248276 0.203677 Mn\n0.751390 0.251724 0.703677 Mn\n0.251390 0.751724 0.796323 Mn\n0.248610 0.251724 0.703677 Mn\n0.751390 0.748276 0.296323 Mn\n0.500000 0.539845 0.168434 P\n0.500000 0.460155 0.831566 P\n0.500000 0.713940 0.463060 P\n0.000000 0.960155 0.668434 P\n0.000000 0.541033 0.717047 P\n0.000000 0.458967 0.282953 P\n0.000000 0.213940 0.036940 P\n0.500000 0.958967 0.217047 P\n0.000000 0.039845 0.331566 P\n0.000000 0.786060 0.963060 P\n0.500000 0.041033 0.782953 P\n0.500000 0.286060 0.536940 P\n0.689197 0.329706 0.587604 O\n0.000000 0.114363 0.685032 O\n0.310803 0.329706 0.587604 O\n0.803167 0.408392 0.323093 O\n0.306274 0.581400 0.124015 O\n0.500000 0.614363 0.814968 O\n0.500000 0.612426 0.252711 O\n0.500000 0.113676 0.226710 O\n0.189197 0.170294 0.087604 O\n0.303167 0.091608 0.823093 O\n0.000000 0.885637 0.314968 O\n0.000000 0.887574 0.752711 O\n0.803167 0.591608 0.676907 O\n0.693726 0.581400 0.124015 O\n0.696833 0.908392 0.176907 O\n0.500000 0.105572 0.697346 O\n0.500000 0.354064 0.456401 O\n0.500000 0.645936 0.543599 O\n0.689197 0.670294 0.412396 O\n0.000000 0.613676 0.273290 O\n0.000000 0.386324 0.726710 O\n0.696833 0.091608 0.823093 O\n0.000000 0.605572 0.802654 O\n0.500000 0.886324 0.773290 O\n0.810803 0.170294 0.087604 O\n0.000000 0.145936 0.956401 O\n0.500000 0.894428 0.302654 O\n0.000000 0.632982 0.978089 O\n0.196833 0.591608 0.676907 O\n0.303167 0.908392 0.176907 O\n0.193726 0.081400 0.375985 O\n0.806274 0.918600 0.624015 O\n0.806274 0.081400 0.375985 O\n0.500000 0.867018 0.478089 O\n0.000000 0.394428 0.197346 O\n0.693726 0.418600 0.875985 O\n0.500000 0.132982 0.521911 O\n0.810803 0.829706 0.912396 O\n0.500000 0.385637 0.185032 O\n0.189197 0.829706 0.912396 O\n0.000000 0.112426 0.247289 O\n0.306274 0.418600 0.875985 O\n0.000000 0.854064 0.043599 O\n0.000000 0.367018 0.021911 O\n0.500000 0.387574 0.747289 O\n0.310803 0.670294 0.412396 O\n0.193726 0.918600 0.624015 O\n0.196833 0.408392 0.323093 O\n",
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"elements": [
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"Mn",
"P",
"O"
],
"chemical_system": "Mn-O-P-Rb",
"density": 3.517786018002907,
"density_atomic": 0.0717958978876991,
"volume": 1114.2697891338235,
"volume_molar": 8.387861893474254,
"formula_full": "Rb4 Mn16 P12 O48",
"formula_reduced": "RbMn4(PO4)3",
"formula_anonymous": "AB3C4D12",
"energy": -657.9939381099998,
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"updated_at": "2021-11-28T01:39:06.787000Z",
"spacegroup": 58
}
]
}