HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=10208",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=10206",
"results": [
{
"id": "mp-759258",
"created_at": "2022-09-04T14:44:07.992641Z",
"structure_string": "Li4 Fe8 O4 F12\n1.0\n6.305068 0.000000 0.000000\n0.000000 5.233782 0.000000\n0.000000 0.443676 10.637228\nLi Fe O F\n4 8 4 12\ndirect\n0.500000 0.977363 0.831989 Li\n0.000000 0.038305 0.675285 Li\n0.000000 0.914592 0.302986 Li\n0.500000 0.062167 0.173385 Li\n0.000000 0.509646 0.009618 Fe\n0.500000 0.497423 0.991318 Fe\n0.745801 0.513993 0.740162 Fe\n0.254199 0.513993 0.740162 Fe\n0.000000 0.504537 0.501243 Fe\n0.500000 0.029911 0.489060 Fe\n0.741945 0.476451 0.264335 Fe\n0.258055 0.476451 0.264335 Fe\n0.500000 0.338186 0.823975 O\n0.000000 0.682246 0.660779 O\n0.500000 0.257259 0.330772 O\n0.000000 0.646048 0.182103 O\n0.742101 0.747116 0.912196 F\n0.257899 0.747116 0.912196 F\n0.000000 0.294130 0.846312 F\n0.500000 0.807247 0.661455 F\n0.767059 0.230425 0.588614 F\n0.232941 0.230425 0.588614 F\n0.762178 0.764121 0.407798 F\n0.237822 0.764121 0.407798 F\n0.000000 0.249575 0.357525 F\n0.500000 0.709128 0.158154 F\n0.730237 0.259013 0.088914 F\n0.269763 0.259013 0.088914 F\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 3.6260080684215064,
"density_atomic": 0.07976716539422991,
"volume": 351.02162477025195,
"volume_molar": 7.5496486934655715,
"formula_full": "Li4 Fe8 O4 F12",
"formula_reduced": "LiFe2OF3",
"formula_anonymous": "ABC2D3",
"energy": -183.77658473,
"energy_per_atom": -6.563449454642857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -157.43658473,
"band_gap": 2.6416,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 31.9999736,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:33.172000Z",
"spacegroup": 6
},
{
"id": "mp-1224771",
"created_at": "2022-09-04T14:44:08.947352Z",
"structure_string": "Fe3 Ni1 P4\n1.0\n3.248098 0.000000 0.000000\n0.000000 5.041672 0.000000\n0.000000 0.037684 5.640757\nFe Ni P\n3 1 4\ndirect\n0.500000 0.999983 0.200608 Fe\n0.000000 0.497850 0.703373 Fe\n0.000000 0.996745 0.800047 Fe\n0.500000 0.501484 0.301384 Ni\n0.500000 0.700004 0.912955 P\n0.500000 0.185152 0.581489 P\n0.000000 0.298579 0.073372 P\n0.000000 0.820203 0.426773 P\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Fe",
"Ni",
"P"
],
"chemical_system": "Fe-Ni-P",
"density": 6.2940355427872925,
"density_atomic": 0.08660618011554998,
"volume": 92.37216084725593,
"volume_molar": 6.953476936594201,
"formula_full": "Fe3 Ni1 P4",
"formula_reduced": "Fe3NiP4",
"formula_anonymous": "AB3C4",
"energy": -57.37721051,
"energy_per_atom": -7.17215131375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -57.37721051,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002261,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:28.620000Z",
"spacegroup": 6
},
{
"id": "mp-760072",
"created_at": "2022-09-04T14:44:08.980702Z",
"structure_string": "La7 Mn8 O23\n1.0\n7.894876 0.000000 0.000000\n0.000000 5.561409 0.000000\n0.000000 0.015705 11.120095\nLa Mn O\n7 8 23\ndirect\n0.500000 0.969515 0.504702 La\n0.500000 0.971762 0.000436 La\n0.000000 0.531605 0.254922 La\n0.500000 0.470816 0.247161 La\n0.500000 0.468068 0.747307 La\n0.000000 0.042436 0.492859 La\n0.000000 0.033346 0.992661 La\n0.252652 0.993144 0.752946 Mn\n0.747348 0.993144 0.752946 Mn\n0.250758 0.000164 0.248803 Mn\n0.749242 0.000164 0.248803 Mn\n0.244804 0.498189 0.993739 Mn\n0.244546 0.502664 0.505177 Mn\n0.755196 0.498189 0.993739 Mn\n0.755454 0.502664 0.505177 Mn\n0.000000 0.990736 0.216495 O\n0.777407 0.794346 0.896205 O\n0.785517 0.785637 0.391326 O\n0.222593 0.794346 0.896205 O\n0.214483 0.785637 0.391326 O\n0.705990 0.729235 0.637896 O\n0.294010 0.729235 0.637896 O\n0.714044 0.715013 0.141035 O\n0.285956 0.715013 0.141035 O\n0.500000 0.509912 0.962875 O\n0.500000 0.503129 0.470032 O\n0.000000 0.485583 0.038544 O\n0.000000 0.487506 0.518841 O\n0.214513 0.281952 0.360222 O\n0.216419 0.262178 0.862012 O\n0.785487 0.281952 0.360222 O\n0.783581 0.262178 0.862012 O\n0.273648 0.205204 0.608745 O\n0.726352 0.205204 0.608745 O\n0.288100 0.222699 0.110673 O\n0.711900 0.222699 0.110673 O\n0.500000 0.017756 0.783588 O\n0.500000 0.008856 0.283435 O\n",
"nsites": 38,
"nelements": 3,
"elements": [
"La",
"Mn",
"O"
],
"chemical_system": "La-Mn-O",
"density": 6.053251155194875,
"density_atomic": 0.07782962726685326,
"volume": 488.2459461062299,
"volume_molar": 7.737594244608133,
"formula_full": "La7 Mn8 O23",
"formula_reduced": "La7Mn8O23",
"formula_anonymous": "A7B8C23",
"energy": -330.1582495199999,
"energy_per_atom": -8.68837498736842,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -301.01324952,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 30.9941435,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:34.105000Z",
"spacegroup": 6
},
{
"id": "mp-1100803",
"created_at": "2022-09-04T14:44:09.642346Z",
"structure_string": "Zr4 Pb4 O12\n1.0\n4.295188 -0.021997 0.000000\n-0.034431 8.444157 0.000000\n0.000000 0.000000 8.429317\nZr Pb O\n4 4 12\ndirect\n0.468367 0.251793 0.253344 Zr\n0.468367 0.251793 0.746656 Zr\n0.449747 0.753941 0.246703 Zr\n0.449747 0.753941 0.753297 Zr\n0.956051 0.057644 0.000000 Pb\n0.867156 0.513715 0.500000 Pb\n0.893826 0.530652 0.000000 Pb\n0.873562 0.982279 0.500000 Pb\n0.995833 0.240091 0.227240 O\n0.995833 0.240091 0.772760 O\n0.514501 0.997139 0.269965 O\n0.511456 0.226261 0.000000 O\n0.540215 0.255000 0.500000 O\n0.528191 0.497875 0.252725 O\n0.494479 0.728080 0.000000 O\n0.528191 0.497875 0.747275 O\n0.523252 0.738170 0.500000 O\n0.514501 0.997139 0.730035 O\n0.981363 0.743260 0.249995 O\n0.981363 0.743260 0.750005 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Zr",
"Pb",
"O"
],
"chemical_system": "O-Pb-Zr",
"density": 7.52649902407487,
"density_atomic": 0.0654196477140395,
"volume": 305.71855243585884,
"volume_molar": 9.205400778560913,
"formula_full": "Zr4 Pb4 O12",
"formula_reduced": "ZrPbO3",
"formula_anonymous": "ABC3",
"energy": -165.21169366000004,
"energy_per_atom": -8.260584683000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -156.96769366,
"band_gap": 2.6291,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000611,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:28.871000Z",
"spacegroup": 6
},
{
"id": "mp-775307",
"created_at": "2022-09-04T14:44:10.040659Z",
"structure_string": "Co3 Ni1 P4 O16\n1.0\n5.830915 0.000000 0.000000\n0.000000 4.784442 0.000000\n0.000000 0.125640 9.909152\nCo Ni P O\n3 1 4 16\ndirect\n0.000000 0.055380 0.281112 Co\n0.000000 0.446159 0.777762 Co\n0.500000 0.553869 0.219834 Co\n0.500000 0.954885 0.724250 Ni\n0.500000 0.086028 0.404977 P\n0.500000 0.418144 0.904144 P\n0.000000 0.588157 0.095236 P\n0.000000 0.904400 0.597457 P\n0.500000 0.163780 0.552554 O\n0.295009 0.233547 0.326763 O\n0.704991 0.233547 0.326763 O\n0.000000 0.222846 0.613296 O\n0.000000 0.269547 0.115447 O\n0.291982 0.276341 0.829588 O\n0.708018 0.276341 0.829588 O\n0.500000 0.336087 0.055118 O\n0.000000 0.666269 0.945561 O\n0.794091 0.732028 0.171354 O\n0.205909 0.732028 0.171354 O\n0.500000 0.735274 0.891709 O\n0.500000 0.769170 0.384019 O\n0.794879 0.753772 0.668914 O\n0.205121 0.753772 0.668914 O\n0.000000 0.838631 0.444289 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Co",
"Ni",
"P",
"O"
],
"chemical_system": "Co-Ni-O-P",
"density": 3.6964673460737076,
"density_atomic": 0.08681739425401919,
"volume": 276.44229830001984,
"volume_molar": 6.936560134919284,
"formula_full": "Co3 Ni1 P4 O16",
"formula_reduced": "Co3Ni(PO4)4",
"formula_anonymous": "AB3C4D16",
"energy": -176.23394256,
"energy_per_atom": -7.34308094,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -157.78694256,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.0609152,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:32.632000Z",
"spacegroup": 6
},
{
"id": "mp-1217949",
"created_at": "2022-09-04T14:44:09.904744Z",
"structure_string": "Ta1 Nb2 Fe1 Se10\n1.0\n3.541356 0.000000 0.000000\n0.000000 9.692018 0.000000\n0.000000 3.864733 9.410934\nTa Nb Fe Se\n1 2 1 10\ndirect\n0.500000 0.458900 0.918060 Ta\n0.000000 0.284475 0.627328 Nb\n0.500000 0.714270 0.361943 Nb\n0.000000 0.542811 0.103367 Fe\n0.500000 0.063235 0.750721 Se\n0.000000 0.937032 0.239984 Se\n0.500000 0.488432 0.631449 Se\n0.000000 0.513753 0.354840 Se\n0.500000 0.166475 0.499415 Se\n0.000000 0.828680 0.490779 Se\n0.000000 0.257951 0.908145 Se\n0.500000 0.723829 0.091394 Se\n0.000000 0.664306 0.846039 Se\n0.500000 0.355851 0.176535 Se\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ta",
"Nb",
"Fe",
"Se"
],
"chemical_system": "Fe-Nb-Se-Ta",
"density": 6.231733479379731,
"density_atomic": 0.04334225559818186,
"volume": 323.0104157428133,
"volume_molar": 13.894387075352439,
"formula_full": "Ta1 Nb2 Fe1 Se10",
"formula_reduced": "TaNb2FeSe10",
"formula_anonymous": "ABC2D10",
"energy": -88.79944942,
"energy_per_atom": -6.342817815714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -84.07944942,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012489,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:28.703000Z",
"spacegroup": 6
},
{
"id": "mp-1190870",
"created_at": "2022-09-04T14:44:10.029330Z",
"structure_string": "Ce2 S4 O17\n1.0\n5.394589 0.000000 0.000000\n0.000000 6.911909 0.000000\n0.000000 1.479808 9.041111\nCe S O\n2 4 17\ndirect\n0.500000 0.793533 0.062989 Ce\n0.000000 0.183374 0.520535 Ce\n0.500000 0.263034 0.231365 S\n0.000000 0.801263 0.869393 S\n0.000000 0.714527 0.352390 S\n0.500000 0.169202 0.711153 S\n0.500000 0.435201 0.113525 O\n0.771715 0.677921 0.887917 O\n0.228285 0.677921 0.887917 O\n0.500000 0.081532 0.164352 O\n0.500000 0.050346 0.861270 O\n0.225467 0.713740 0.258895 O\n0.774533 0.713740 0.258895 O\n0.000000 0.922624 0.990312 O\n0.000000 0.541173 0.469094 O\n0.275506 0.265416 0.325324 O\n0.724494 0.265416 0.325324 O\n0.272867 0.294039 0.693042 O\n0.727133 0.294039 0.693042 O\n0.000000 0.921575 0.720249 O\n0.000000 0.894781 0.420612 O\n0.500000 0.046482 0.592066 O\n0.000000 0.300220 0.980139 O\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Ce",
"S",
"O"
],
"chemical_system": "Ce-O-S",
"density": 3.3518720817220045,
"density_atomic": 0.06822596083102518,
"volume": 337.1150764291024,
"volume_molar": 8.826758445974837,
"formula_full": "Ce2 S4 O17",
"formula_reduced": "Ce2S4O17",
"formula_anonymous": "A2B4C17",
"energy": -163.35510569000002,
"energy_per_atom": -7.102395899565218,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -151.67610569,
"band_gap": 0.1454999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0001423,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:26.398000Z",
"spacegroup": 6
},
{
"id": "mp-1173376",
"created_at": "2022-09-04T14:44:10.085196Z",
"structure_string": "Sr12 Y4 Fe8 Co8 O43\n1.0\n15.419618 0.000000 0.000000\n0.000000 7.891726 0.000000\n0.000000 0.008365 7.897236\nSr Y Fe Co O\n12 4 8 8 43\ndirect\n0.878500 0.499172 0.476176 Sr\n0.872813 0.999998 0.496374 Sr\n0.629300 0.999705 0.503710 Sr\n0.381089 0.002430 0.972358 Sr\n0.370386 0.500393 0.003065 Sr\n0.130204 0.499798 0.009211 Sr\n0.869796 0.499798 0.009211 Sr\n0.629614 0.500393 0.003065 Sr\n0.618911 0.002430 0.972358 Sr\n0.370700 0.999705 0.503710 Sr\n0.127187 0.999998 0.496374 Sr\n0.121500 0.499172 0.476176 Sr\n0.645130 0.498981 0.512082 Y\n0.151924 0.999132 0.010084 Y\n0.848076 0.999132 0.010084 Y\n0.354870 0.498981 0.512082 Y\n0.748284 0.749863 0.251289 Fe\n0.748232 0.250412 0.251641 Fe\n0.245525 0.250161 0.752095 Fe\n0.245894 0.749873 0.751347 Fe\n0.754106 0.749873 0.751347 Fe\n0.754475 0.250161 0.752095 Fe\n0.251768 0.250412 0.251641 Fe\n0.251716 0.749863 0.251289 Fe\n0.000000 0.734127 0.744671 Co\n0.000000 0.264933 0.744505 Co\n0.500000 0.238400 0.233932 Co\n0.500000 0.762329 0.234111 Co\n0.000000 0.751711 0.251563 Co\n0.000000 0.248552 0.247861 Co\n0.500000 0.275369 0.735020 Co\n0.500000 0.738328 0.738066 Co\n0.735415 0.000177 0.244441 O\n0.609208 0.296003 0.305379 O\n0.608355 0.701768 0.305558 O\n0.000000 0.226876 0.511341 O\n0.000000 0.770970 0.511271 O\n0.764534 0.253371 0.501721 O\n0.763461 0.746657 0.501829 O\n0.236261 0.500043 0.747738 O\n0.112603 0.204287 0.804614 O\n0.112615 0.796264 0.804089 O\n0.000000 0.499598 0.808337 O\n0.618825 0.721939 0.708452 O\n0.620152 0.276503 0.712491 O\n0.763739 0.500043 0.747738 O\n0.742602 0.999748 0.756995 O\n0.887397 0.204287 0.804614 O\n0.887385 0.796264 0.804089 O\n0.500000 0.717974 0.994344 O\n0.268566 0.758209 0.000007 O\n0.266547 0.241823 0.001432 O\n0.731434 0.758209 0.000007 O\n0.733453 0.241823 0.001432 O\n0.000000 0.998681 0.037781 O\n0.500000 0.000320 0.280060 O\n0.123560 0.231358 0.209560 O\n0.124502 0.770376 0.206184 O\n0.264585 0.000177 0.244441 O\n0.248066 0.499396 0.255808 O\n0.391645 0.701768 0.305558 O\n0.390792 0.296003 0.305379 O\n0.000000 0.494616 0.234915 O\n0.875498 0.770376 0.206184 O\n0.876440 0.231358 0.209560 O\n0.000000 0.006124 0.224989 O\n0.751934 0.499396 0.255808 O\n0.235466 0.253371 0.501721 O\n0.236539 0.746657 0.501829 O\n0.500000 0.493319 0.595846 O\n0.500000 0.998988 0.724995 O\n0.379848 0.276503 0.712491 O\n0.381175 0.721939 0.708452 O\n0.257398 0.999748 0.756995 O\n0.500000 0.285204 0.995232 O\n",
"nsites": 75,
"nelements": 5,
"elements": [
"Sr",
"Y",
"Fe",
"Co",
"O"
],
"chemical_system": "Co-Fe-O-Sr-Y",
"density": 5.206734463968741,
"density_atomic": 0.07804418214039782,
"volume": 960.9941182429014,
"volume_molar": 7.716322466121115,
"formula_full": "Sr12 Y4 Fe8 Co8 O43",
"formula_reduced": "Sr12Y4Fe8Co8O43",
"formula_anonymous": "A4B8C8D12E43",
"energy": -536.46884413,
"energy_per_atom": -7.152917921733333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -498.39384413,
"band_gap": 0.3718999999999997,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 63.9994099,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:35.723000Z",
"spacegroup": 6
},
{
"id": "mp-759992",
"created_at": "2022-09-04T14:44:10.402018Z",
"structure_string": "Mn4 Fe4 Co4 P12 O48\n1.0\n5.984980 0.000000 0.000000\n0.000000 9.836596 0.000000\n0.000000 0.063026 14.590301\nMn Fe Co P O\n4 4 4 12 48\ndirect\n0.000000 0.215795 0.480419 Mn\n0.000000 0.216608 0.812811 Mn\n0.500000 0.284208 0.646277 Mn\n0.500000 0.284757 0.977811 Mn\n0.000000 0.221853 0.152367 Fe\n0.500000 0.274076 0.319294 Fe\n0.000000 0.726235 0.010515 Fe\n0.000000 0.728671 0.343849 Fe\n0.000000 0.729778 0.676149 Co\n0.500000 0.772782 0.842539 Co\n0.500000 0.770386 0.510998 Co\n0.500000 0.774900 0.176316 Co\n0.500000 0.098605 0.805590 P\n0.500000 0.097916 0.137738 P\n0.500000 0.096038 0.473414 P\n0.000000 0.399578 0.305969 P\n0.000000 0.401289 0.971167 P\n0.000000 0.402294 0.639417 P\n0.500000 0.600933 0.361827 P\n0.500000 0.599970 0.028039 P\n0.500000 0.600021 0.696245 P\n0.000000 0.901665 0.529686 P\n0.000000 0.901892 0.196017 P\n0.000000 0.900773 0.861080 P\n0.000000 0.054957 0.553099 O\n0.000000 0.053195 0.219370 O\n0.000000 0.053529 0.882897 O\n0.500000 0.118207 0.241689 O\n0.500000 0.118483 0.577067 O\n0.500000 0.118502 0.909814 O\n0.299279 0.169912 0.756561 O\n0.700721 0.169912 0.756561 O\n0.295369 0.167635 0.091189 O\n0.704631 0.167635 0.091189 O\n0.302296 0.170526 0.422902 O\n0.697704 0.170526 0.422902 O\n0.798923 0.325701 0.258181 O\n0.201077 0.325701 0.258181 O\n0.798737 0.328748 0.923044 O\n0.201263 0.328748 0.923044 O\n0.799493 0.330377 0.590572 O\n0.200507 0.330377 0.590572 O\n0.000000 0.379730 0.074917 O\n0.000000 0.379083 0.410740 O\n0.000000 0.381800 0.743764 O\n0.500000 0.448500 0.382390 O\n0.500000 0.447154 0.050216 O\n0.500000 0.446475 0.717706 O\n0.000000 0.551370 0.286256 O\n0.000000 0.553468 0.949374 O\n0.000000 0.556525 0.620656 O\n0.500000 0.625156 0.257429 O\n0.500000 0.622570 0.591219 O\n0.500000 0.624006 0.923492 O\n0.298172 0.673629 0.410568 O\n0.701828 0.673629 0.410568 O\n0.297484 0.671240 0.076202 O\n0.702516 0.671240 0.076202 O\n0.297831 0.670471 0.744322 O\n0.702169 0.670471 0.744322 O\n0.798391 0.830256 0.579194 O\n0.201609 0.830256 0.579194 O\n0.799994 0.828024 0.245693 O\n0.200006 0.828024 0.245693 O\n0.799187 0.830024 0.910422 O\n0.200813 0.830024 0.910422 O\n0.000000 0.878183 0.756561 O\n0.000000 0.880692 0.092434 O\n0.000000 0.883885 0.425959 O\n0.500000 0.944221 0.786752 O\n0.500000 0.943278 0.454017 O\n0.500000 0.942603 0.118444 O\n",
"nsites": 72,
"nelements": 5,
"elements": [
"Mn",
"Fe",
"Co",
"P",
"O"
],
"chemical_system": "Co-Fe-Mn-O-P",
"density": 3.5155696039186988,
"density_atomic": 0.08382251874822344,
"volume": 858.957724907616,
"volume_molar": 7.1843948976153085,
"formula_full": "Mn4 Fe4 Co4 P12 O48",
"formula_reduced": "MnFeCo(PO4)3",
"formula_anonymous": "ABCD3E12",
"energy": -564.57195768,
"energy_per_atom": -7.84127719,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -509.34795768,
"band_gap": 0.2765999999999997,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 52.0000002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:35.764000Z",
"spacegroup": 6
},
{
"id": "mp-1217637",
"created_at": "2022-09-04T14:44:12.274601Z",
"structure_string": "Tb4 Si7\n1.0\n0.000000 0.008712 4.102910\n3.995247 0.000000 0.000000\n0.000000 13.621464 0.026648\nTb Si\n4 7\ndirect\n0.010747 0.750000 0.376378 Tb\n0.517802 0.250000 0.872993 Tb\n0.516201 0.750000 0.121258 Tb\n0.007958 0.250000 0.622528 Tb\n0.513157 0.250000 0.291227 Si\n0.027395 0.750000 0.779298 Si\n0.014485 0.250000 0.207885 Si\n0.509315 0.250000 0.462572 Si\n0.012996 0.750000 0.948791 Si\n0.019640 0.250000 0.038257 Si\n0.508306 0.750000 0.561013 Si\n",
"nsites": 11,
"nelements": 2,
"elements": [
"Tb",
"Si"
],
"chemical_system": "Si-Tb",
"density": 6.189724686759757,
"density_atomic": 0.04926461324387437,
"volume": 223.28400195789123,
"volume_molar": 12.224069902241242,
"formula_full": "Tb4 Si7",
"formula_reduced": "Tb4Si7",
"formula_anonymous": "A4B7",
"energy": -62.55317635,
"energy_per_atom": -5.686652395454545,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -63.05017635,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0044035,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:28.957000Z",
"spacegroup": 6
},
{
"id": "mp-1218494",
"created_at": "2022-09-04T14:44:10.781307Z",
"structure_string": "Sr3 Ca1 Hf4 O12\n1.0\n8.200833 0.000000 0.000000\n0.000000 5.749930 0.000000\n0.000000 0.004497 5.813837\nSr Ca Hf O\n3 1 4 12\ndirect\n0.500000 0.003751 0.029616 Sr\n0.000000 0.506946 0.473078 Sr\n0.000000 0.992877 0.966520 Sr\n0.500000 0.501956 0.538826 Ca\n0.252512 0.999901 0.499148 Hf\n0.748026 0.500245 0.001137 Hf\n0.747488 0.999901 0.499148 Hf\n0.251974 0.500245 0.001137 Hf\n0.500000 0.565016 0.963584 O\n0.500000 0.913683 0.484799 O\n0.000000 0.432868 0.022236 O\n0.000000 0.063845 0.509009 O\n0.282327 0.209117 0.790560 O\n0.703139 0.297253 0.297250 O\n0.782004 0.792638 0.207437 O\n0.216206 0.710374 0.710634 O\n0.217996 0.792638 0.207437 O\n0.783794 0.710374 0.710634 O\n0.717673 0.209117 0.790560 O\n0.296861 0.297253 0.297250 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"Ca",
"Hf",
"O"
],
"chemical_system": "Ca-Hf-O-Sr",
"density": 7.322388929766358,
"density_atomic": 0.07295358166305435,
"volume": 274.1469238943279,
"volume_molar": 8.254756823063252,
"formula_full": "Sr3 Ca1 Hf4 O12",
"formula_reduced": "Sr3CaHf4O12",
"formula_anonymous": "AB3C4D12",
"energy": -182.42508299,
"energy_per_atom": -9.1212541495,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -174.18108299,
"band_gap": 4.1782,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.3e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:29.751000Z",
"spacegroup": 6
},
{
"id": "mp-756007",
"created_at": "2022-09-04T14:44:11.229101Z",
"structure_string": "Li3 Cu3 P2 O8\n1.0\n6.223334 0.000000 0.000000\n0.000000 5.143788 0.000000\n0.000000 0.027396 5.440246\nLi Cu P O\n3 3 2 8\ndirect\n0.000000 0.491132 0.846317 Li\n0.746141 0.489431 0.326029 Li\n0.253859 0.489431 0.326029 Li\n0.753086 0.013081 0.659098 Cu\n0.500000 0.005752 0.183717 Cu\n0.246914 0.013081 0.659098 Cu\n0.000000 0.993760 0.172794 P\n0.500000 0.498184 0.826168 P\n0.000000 0.881371 0.907485 O\n0.000000 0.294368 0.177339 O\n0.797793 0.877652 0.306446 O\n0.707082 0.406490 0.689270 O\n0.500000 0.801038 0.825488 O\n0.500000 0.403681 0.099006 O\n0.292918 0.406490 0.689270 O\n0.202207 0.877652 0.306446 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Cu",
"P",
"O"
],
"chemical_system": "Cu-Li-O-P",
"density": 3.82741703754324,
"density_atomic": 0.09187456030785772,
"volume": 174.15049330724878,
"volume_molar": 6.554742400748064,
"formula_full": "Li3 Cu3 P2 O8",
"formula_reduced": "Li3Cu3(PO4)2",
"formula_anonymous": "A2B3C3D8",
"energy": -101.45827738,
"energy_per_atom": -6.34114233625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -95.96227738,
"band_gap": 0.6345999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001471,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:25.128000Z",
"spacegroup": 6
}
]
}