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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=total_magnetization&page=10228",
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"results": [
{
"id": "mp-1099627",
"created_at": "2022-09-04T14:47:04.678511Z",
"structure_string": "La4 Mn4 O10\n1.0\n0.001615 0.000800 5.769177\n5.937659 0.000943 0.001667\n-2.966774 7.868019 2.884849\nLa Mn O\n4 4 10\ndirect\n0.369413 0.126894 0.224730 La\n0.595034 0.872680 0.775400 La\n0.870287 0.597421 0.224577 La\n0.094081 0.402311 0.775365 La\n0.217285 0.796307 0.500251 Mn\n0.000234 0.999236 0.998950 Mn\n0.499432 0.500203 0.000947 Mn\n0.716281 0.201979 0.499872 Mn\n0.354735 0.130111 0.500014 O\n0.854994 0.869825 0.499936 O\n0.268229 0.234476 0.944891 O\n0.212892 0.766313 0.055608 O\n0.768563 0.210604 0.944222 O\n0.713168 0.789463 0.055111 O\n0.932268 0.248506 0.283091 O\n0.214063 0.752945 0.717673 O\n0.431565 0.535141 0.282406 O\n0.715472 0.465586 0.716957 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
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"Mn",
"O"
],
"chemical_system": "La-Mn-O",
"density": 5.7627957129018546,
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"volume": 269.52459928476827,
"volume_molar": 9.017305973197056,
"formula_full": "La4 Mn4 O10",
"formula_reduced": "La2Mn2O5",
"formula_anonymous": "A2B2C5",
"energy": -158.79063471,
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"band_gap": 0.0461,
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"updated_at": "2021-11-28T01:37:58.198000Z",
"spacegroup": 46
},
{
"id": "mp-1182612",
"created_at": "2022-09-04T14:40:11.359584Z",
"structure_string": "Bi2 N6 O28\n1.0\n7.178261 -0.324495 -4.716529\n4.850693 7.537434 -3.988165\n-1.500882 1.117643 12.296442\nBi N O\n2 6 28\ndirect\n0.148348 0.241133 0.236647 Bi\n0.851652 0.758867 0.763353 Bi\n0.604228 0.195896 0.454459 N\n0.395772 0.804104 0.545541 N\n0.912698 0.574772 0.322986 N\n0.087302 0.425228 0.677014 N\n0.248503 0.814463 0.105341 N\n0.751497 0.185537 0.894659 N\n0.797748 0.180900 0.546394 O\n0.202252 0.819100 0.453606 O\n0.455682 0.296213 0.344563 O\n0.544318 0.703787 0.655437 O\n0.529239 0.115788 0.455793 O\n0.470761 0.884212 0.544207 O\n0.096802 0.443120 0.408753 O\n0.903198 0.556880 0.591247 O\n0.815187 0.715204 0.364695 O\n0.184813 0.284796 0.635305 O\n0.844570 0.541563 0.191979 O\n0.155430 0.458437 0.808021 O\n0.252799 0.745277 0.171968 O\n0.747201 0.254723 0.828032 O\n0.217602 0.759064 0.983939 O\n0.782398 0.240936 0.016061 O\n0.280932 0.943676 0.155348 O\n0.719068 0.056324 0.844652 O\n0.943310 0.577991 0.991521 O\n0.056690 0.422009 0.008479 O\n0.502266 0.059754 0.124593 O\n0.497734 0.940246 0.875407 O\n0.918393 0.208570 0.311337 O\n0.081607 0.791430 0.688663 O\n0.747449 0.339340 0.311712 O\n0.252551 0.660660 0.688288 O\n0.712843 0.950817 0.194871 O\n0.287157 0.049183 0.805129 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Bi",
"N",
"O"
],
"chemical_system": "Bi-N-O",
"density": 2.4811480399432733,
"density_atomic": 0.0566225858210697,
"volume": 635.7886959412602,
"volume_molar": 10.635580612708639,
"formula_full": "Bi2 N6 O28",
"formula_reduced": "BiN3O14",
"formula_anonymous": "AB3C14",
"energy": -211.62267777,
"energy_per_atom": -5.878407715833333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -207.11467777,
"band_gap": 0.8315999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0007153,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.044000Z",
"spacegroup": 2
},
{
"id": "mp-1174550",
"created_at": "2022-09-04T14:46:30.238028Z",
"structure_string": "Li5 Mn3 O8\n1.0\n1.473134 6.284993 0.000000\n-1.473134 6.284993 0.000000\n0.000000 6.109249 7.741767\nLi Mn O\n5 3 8\ndirect\n0.117913 0.117913 0.143465 Li\n0.882087 0.882087 0.856535 Li\n0.614712 0.614712 0.628577 Li\n0.385288 0.385288 0.371423 Li\n0.000000 0.000000 0.500000 Li\n0.257088 0.257088 0.740576 Mn\n0.742912 0.742912 0.259424 Mn\n0.500000 0.500000 0.000000 Mn\n0.066511 0.066511 0.814200 O\n0.803186 0.803186 0.585881 O\n0.579393 0.579393 0.301808 O\n0.312758 0.312758 0.083442 O\n0.196814 0.196814 0.414119 O\n0.933489 0.933489 0.185800 O\n0.687242 0.687242 0.916558 O\n0.420607 0.420607 0.698192 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 3.793693734334117,
"density_atomic": 0.11160993085147368,
"volume": 143.35641889512684,
"volume_molar": 5.395703333974859,
"formula_full": "Li5 Mn3 O8",
"formula_reduced": "Li5Mn3O8",
"formula_anonymous": "A3B5C8",
"energy": -110.36528558,
"energy_per_atom": -6.89783034875,
"energy_above_hull": null,
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"energy_uncorrected": -99.86528558,
"band_gap": 0.2019999999999999,
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"is_magnetic": true,
"total_magnetization": 10.00072,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:40.794000Z",
"spacegroup": 12
},
{
"id": "mp-1212730",
"created_at": "2022-09-04T14:45:25.883924Z",
"structure_string": "Fe2 Ag2 Mo4 O16\n1.0\n5.879341 0.000000 0.000000\n0.000000 5.028516 0.000000\n0.000000 0.064606 10.113354\nFe Ag Mo O\n2 2 4 16\ndirect\n0.333289 0.750000 0.000000 Fe\n0.666711 0.250000 0.000000 Fe\n0.317058 0.750000 0.500000 Ag\n0.682942 0.250000 0.500000 Ag\n0.179661 0.249489 0.768065 Mo\n0.820339 0.750511 0.231935 Mo\n0.179661 0.250511 0.231935 Mo\n0.820339 0.749489 0.768065 Mo\n0.629252 0.619491 0.652477 O\n0.370748 0.380509 0.347523 O\n0.629252 0.880509 0.347523 O\n0.370748 0.119491 0.652477 O\n0.095061 0.559475 0.674352 O\n0.904939 0.440525 0.325648 O\n0.095061 0.940525 0.325648 O\n0.904939 0.059475 0.674352 O\n0.122563 0.928270 0.877712 O\n0.877437 0.071730 0.122288 O\n0.122563 0.571730 0.122288 O\n0.877437 0.428270 0.877712 O\n0.623486 0.910855 0.892828 O\n0.376514 0.089145 0.107172 O\n0.623486 0.589145 0.107172 O\n0.376514 0.410855 0.892828 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Fe",
"Ag",
"Mo",
"O"
],
"chemical_system": "Ag-Fe-Mo-O",
"density": 5.371446722358128,
"density_atomic": 0.08026894340243047,
"volume": 298.99484137564093,
"volume_molar": 7.502454255324925,
"formula_full": "Fe2 Ag2 Mo4 O16",
"formula_reduced": "FeAg(MoO4)2",
"formula_anonymous": "ABC2D8",
"energy": -185.75285553,
"energy_per_atom": -7.7397023137500005,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -157.44085553,
"band_gap": 1.4844,
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"is_magnetic": true,
"total_magnetization": 10.0007298,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:01.520000Z",
"spacegroup": 13
},
{
"id": "mp-764280",
"created_at": "2022-09-04T14:40:54.644429Z",
"structure_string": "Li4 Mn2 F8\n1.0\n3.146997 0.000000 0.000000\n0.000000 5.049705 0.000000\n0.000000 0.000000 10.098761\nLi Mn F\n4 2 8\ndirect\n0.500000 0.970332 0.291197 Li\n0.500000 0.529668 0.791197 Li\n0.500000 0.470332 0.208803 Li\n0.500000 0.029668 0.708803 Li\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.000000 0.756929 0.826914 F\n0.000000 0.256929 0.673086 F\n0.500000 0.781684 0.098164 F\n0.500000 0.281684 0.401836 F\n0.500000 0.718316 0.598164 F\n0.500000 0.218316 0.901836 F\n0.000000 0.743071 0.326914 F\n0.000000 0.243071 0.173086 F\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 2.9968029373437663,
"density_atomic": 0.08723637382931733,
"volume": 160.4835160548025,
"volume_molar": 6.903245166726718,
"formula_full": "Li4 Mn2 F8",
"formula_reduced": "Li2MnF4",
"formula_anonymous": "AB2C4",
"energy": -83.79292690999999,
"energy_per_atom": -5.985209064999999,
"energy_above_hull": null,
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"energy_uncorrected": -76.76092691,
"band_gap": 4.0203,
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"updated_at": "2021-11-28T01:35:00.172000Z",
"spacegroup": 55
},
{
"id": "mp-754702",
"created_at": "2022-09-04T14:45:20.564000Z",
"structure_string": "V6 O8 F4\n1.0\n3.282930 -9.880402 0.000000\n3.282930 9.880402 0.000000\n0.000000 0.000000 3.080183\nV O F\n6 8 4\ndirect\n0.839505 0.160495 0.000000 V\n0.000000 0.000000 0.500000 V\n0.340250 0.659750 0.500000 V\n0.500000 0.500000 0.000000 V\n0.160495 0.839505 0.000000 V\n0.659750 0.340250 0.500000 V\n0.903014 0.096986 0.500000 O\n0.140426 0.476901 0.000000 O\n0.523099 0.859574 0.000000 O\n0.859574 0.523099 0.000000 O\n0.434421 0.565579 0.500000 O\n0.096986 0.903014 0.500000 O\n0.565579 0.434421 0.500000 O\n0.476901 0.140426 0.000000 O\n0.199561 0.199561 0.000000 F\n0.233022 0.766978 0.500000 F\n0.800439 0.800439 0.000000 F\n0.766978 0.233022 0.500000 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 4.235142112147996,
"density_atomic": 0.09008028515774022,
"volume": 199.82174754975603,
"volume_molar": 6.685303836965645,
"formula_full": "V6 O8 F4",
"formula_reduced": "V3(O2F)2",
"formula_anonymous": "A2B3C4",
"energy": -149.90941644,
"energy_per_atom": -8.328300913333333,
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"energy_uncorrected": -132.36541644,
"band_gap": 0.4906999999999999,
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"updated_at": "2021-11-28T01:37:08.533000Z",
"spacegroup": 65
},
{
"id": "mp-754962",
"created_at": "2022-09-04T14:45:53.941553Z",
"structure_string": "Mn2 Fe1 O6\n1.0\n1.475034 6.352343 0.000000\n-1.475034 6.352343 0.000000\n0.000000 1.123538 5.664819\nMn Fe O\n2 1 6\ndirect\n0.167898 0.167898 0.665222 Mn\n0.832102 0.832102 0.334778 Mn\n0.500000 0.500000 0.000000 Fe\n0.659844 0.659844 0.886490 O\n0.322675 0.322675 0.558707 O\n0.340156 0.340156 0.113510 O\n0.987571 0.987571 0.231390 O\n0.012429 0.012429 0.768610 O\n0.677325 0.677325 0.441293 O\n",
"nsites": 9,
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"elements": [
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"Fe",
"O"
],
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"density": 4.093830329018482,
"density_atomic": 0.08477943238598064,
"volume": 106.15782326809097,
"volume_molar": 7.103303938840522,
"formula_full": "Mn2 Fe1 O6",
"formula_reduced": "Mn2FeO6",
"formula_anonymous": "AB2C6",
"energy": -70.62852101,
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"updated_at": "2021-11-28T01:37:15.561000Z",
"spacegroup": 12
},
{
"id": "mp-1040974",
"created_at": "2022-09-04T14:47:14.720412Z",
"structure_string": "Ho2 Zn2 Mo4 O12\n1.0\n5.640550 0.000000 0.000000\n0.000000 5.418991 0.000000\n0.000000 5.368895 7.990245\nHo Zn Mo O\n2 2 4 12\ndirect\n0.312918 0.764434 0.248968 Ho\n0.687082 0.764434 0.748968 Ho\n0.754104 0.254973 0.250523 Zn\n0.245896 0.254973 0.750523 Zn\n0.764469 0.001751 0.998104 Mo\n0.759947 0.497713 0.501352 Mo\n0.235531 0.001751 0.498104 Mo\n0.240053 0.497713 0.001352 Mo\n0.827436 0.377019 0.753427 O\n0.065657 0.101792 0.066194 O\n0.073891 0.750829 0.432039 O\n0.567715 0.238119 0.070634 O\n0.559020 0.895667 0.431281 O\n0.309537 0.618965 0.746216 O\n0.172564 0.377019 0.253427 O\n0.934343 0.101792 0.566194 O\n0.926109 0.750829 0.932039 O\n0.440980 0.895667 0.931281 O\n0.432285 0.238119 0.570634 O\n0.690463 0.618965 0.246216 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ho",
"Zn",
"Mo",
"O"
],
"chemical_system": "Ho-Mo-O-Zn",
"density": 7.046763516131665,
"density_atomic": 0.08188983887104505,
"volume": 244.23054527552236,
"volume_molar": 7.353953607703742,
"formula_full": "Ho2 Zn2 Mo4 O12",
"formula_reduced": "HoZn(MoO3)2",
"formula_anonymous": "ABC2D6",
"energy": -161.71731846,
"energy_per_atom": -8.085865923,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:38:03.319000Z",
"spacegroup": 7
},
{
"id": "mp-755247",
"created_at": "2022-09-04T14:46:07.281340Z",
"structure_string": "Li8 Mn2 W6 O24\n1.0\n5.095538 -4.986313 0.000163\n-0.058367 -5.047981 8.888677\n-5.215310 -5.112175 -0.001618\nLi Mn W O\n8 2 6 24\ndirect\n0.143530 0.711993 0.144088 Li\n0.643529 0.711989 0.644088 Li\n0.832545 0.834441 0.832738 Li\n0.332558 0.834422 0.332737 Li\n0.578521 0.342309 0.078861 Li\n0.078506 0.342364 0.578819 Li\n0.402377 0.194992 0.902568 Li\n0.902344 0.194994 0.402556 Li\n0.448226 0.103435 0.448175 Mn\n0.948528 0.103851 0.948070 Mn\n0.193123 0.613456 0.693331 W\n0.693129 0.613447 0.193358 W\n0.283643 0.932309 0.783740 W\n0.050164 0.399842 0.050304 W\n0.550158 0.399797 0.550300 W\n0.783663 0.932429 0.283603 W\n0.313571 0.268074 0.153395 O\n0.813734 0.268161 0.653307 O\n0.418515 0.268260 0.578252 O\n0.918472 0.268280 0.078256 O\n0.151662 0.580667 0.965106 O\n0.651653 0.580672 0.465106 O\n0.267472 0.579801 0.454710 O\n0.767450 0.579808 0.954712 O\n0.047740 0.899289 0.860983 O\n0.547740 0.899290 0.360985 O\n0.052729 0.898650 0.239565 O\n0.552738 0.898658 0.739509 O\n0.089063 0.433965 0.774143 O\n0.589114 0.433937 0.274127 O\n0.478108 0.434089 0.792089 O\n0.978096 0.434093 0.292087 O\n0.251066 0.073414 0.898177 O\n0.751007 0.073424 0.398175 O\n0.676064 0.073380 0.028208 O\n0.175980 0.073277 0.528268 O\n0.930847 0.749375 0.575784 O\n0.430780 0.749377 0.075797 O\n0.320402 0.749077 0.675427 O\n0.820374 0.749077 0.175414 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
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"Mn",
"W",
"O"
],
"chemical_system": "Li-Mn-O-W",
"density": 5.929820914186598,
"density_atomic": 0.08644293056526782,
"volume": 462.73303945657443,
"volume_molar": 6.966608744775313,
"formula_full": "Li8 Mn2 W6 O24",
"formula_reduced": "Li4Mn(WO4)3",
"formula_anonymous": "AB3C4D12",
"energy": -320.6142426,
"energy_per_atom": -8.015356065,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:24.600000Z",
"spacegroup": 3
},
{
"id": "mp-1196469",
"created_at": "2022-09-04T14:47:29.947943Z",
"structure_string": "Rb4 Mn2 H24 S4 O28\n1.0\n12.656951 0.000000 0.000000\n0.000000 6.242244 0.000000\n0.000000 2.523502 8.936932\nRb Mn H S O\n4 2 24 4 28\ndirect\n0.148271 0.651646 0.630995 Rb\n0.648271 0.348354 0.869005 Rb\n0.851729 0.348354 0.369005 Rb\n0.351729 0.651646 0.130995 Rb\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.404649 0.678548 0.716208 H\n0.904649 0.321452 0.783792 H\n0.595351 0.321452 0.283792 H\n0.095351 0.678548 0.216208 H\n0.368737 0.915607 0.741475 H\n0.868737 0.084393 0.758525 H\n0.631263 0.084393 0.258525 H\n0.131263 0.915607 0.241475 H\n0.398992 0.067782 0.224689 H\n0.898992 0.932218 0.275311 H\n0.601008 0.932218 0.775311 H\n0.101008 0.067782 0.724689 H\n0.310718 0.008121 0.351785 H\n0.810718 0.991879 0.148215 H\n0.689282 0.991879 0.648215 H\n0.189282 0.008121 0.851785 H\n0.561187 0.650244 0.407676 H\n0.061187 0.349756 0.092324 H\n0.438813 0.349756 0.592324 H\n0.938813 0.650244 0.907676 H\n0.646604 0.668149 0.528922 H\n0.146604 0.331851 0.971078 H\n0.353396 0.331851 0.471078 H\n0.853396 0.668149 0.028922 H\n0.359948 0.269198 0.904048 S\n0.859948 0.730802 0.595952 S\n0.640052 0.730802 0.095952 S\n0.140052 0.269198 0.404048 S\n0.267540 0.414150 0.913092 O\n0.767540 0.585850 0.586908 O\n0.732460 0.585850 0.086908 O\n0.232460 0.414150 0.413092 O\n0.422794 0.222454 0.044698 O\n0.922794 0.777546 0.455302 O\n0.577206 0.777546 0.955302 O\n0.077206 0.222454 0.544698 O\n0.428573 0.391406 0.776478 O\n0.928573 0.608594 0.723522 O\n0.571427 0.608594 0.223522 O\n0.071427 0.391406 0.276478 O\n0.321702 0.055716 0.877428 O\n0.821702 0.944284 0.622572 O\n0.678298 0.944284 0.122572 O\n0.178298 0.055716 0.377428 O\n0.388261 0.836913 0.665478 O\n0.888261 0.163087 0.834522 O\n0.611739 0.163087 0.334522 O\n0.111739 0.836913 0.165478 O\n0.383375 0.970326 0.326519 O\n0.883375 0.029674 0.173481 O\n0.616625 0.029674 0.673481 O\n0.116625 0.970326 0.826519 O\n0.569956 0.689480 0.503633 O\n0.069956 0.310520 0.996367 O\n0.430044 0.310520 0.496367 O\n0.930044 0.689480 0.003633 O\n",
"nsites": 62,
"nelements": 5,
"elements": [
"Rb",
"Mn",
"H",
"S",
"O"
],
"chemical_system": "H-Mn-O-Rb-S",
"density": 2.4744648012508663,
"density_atomic": 0.08780786075977741,
"volume": 706.0871254980016,
"volume_molar": 6.858316223504436,
"formula_full": "Rb4 Mn2 H24 S4 O28",
"formula_reduced": "Rb2MnH12(SO7)2",
"formula_anonymous": "AB2C2D12E14",
"energy": -361.21544722,
"energy_per_atom": -5.82605560032258,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -338.64344722,
"band_gap": 3.7482,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0007537,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:14.610000Z",
"spacegroup": 14
},
{
"id": "mp-1217886",
"created_at": "2022-09-04T14:47:13.793617Z",
"structure_string": "Sr1 La2 Fe2 O7\n1.0\n-1.976707 1.976707 10.235009\n1.976707 -1.976707 10.235009\n1.976707 1.976707 -10.235009\nSr La Fe O\n1 2 2 7\ndirect\n0.682726 0.682726 0.000000 Sr\n0.317536 0.317536 0.000000 La\n0.505334 0.505334 0.000000 La\n0.902815 0.902815 0.000000 Fe\n0.100657 0.100657 0.000000 Fe\n0.901022 0.401022 0.500000 O\n0.401022 0.901022 0.500000 O\n0.092733 0.592733 0.500000 O\n0.592733 0.092733 0.500000 O\n0.800717 0.800717 0.000000 O\n0.203154 0.203154 0.000000 O\n0.999551 0.999551 0.000000 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
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"La",
"Fe",
"O"
],
"chemical_system": "Fe-La-O-Sr",
"density": 6.1152982144322285,
"density_atomic": 0.07501505385723223,
"volume": 159.96789154931835,
"volume_molar": 8.027909666586748,
"formula_full": "Sr1 La2 Fe2 O7",
"formula_reduced": "SrLa2Fe2O7",
"formula_anonymous": "AB2C2D7",
"energy": -97.13596253,
"energy_per_atom": -8.094663544166666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -87.81496253,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0007559,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:56.331000Z",
"spacegroup": 107
},
{
"id": "mp-1304002",
"created_at": "2022-09-04T14:44:17.255401Z",
"structure_string": "Li8 Ni6 Bi2 O16\n1.0\n-5.222784 -1.578044 2.601105\n-1.776166 -10.058341 -2.586925\n5.225107 -1.594177 2.584873\nLi Ni Bi O\n8 6 2 16\ndirect\n0.500053 0.750371 0.749413 Li\n0.500116 0.250503 0.249257 Li\n0.998503 0.251009 0.750570 Li\n0.999821 0.750354 0.250015 Li\n0.500635 0.499730 0.500554 Li\n0.501229 0.999238 0.001529 Li\n0.999736 0.499671 0.999613 Li\n0.999304 0.999208 0.499532 Li\n0.500529 0.749737 0.249961 Ni\n0.000144 0.749786 0.749648 Ni\n0.499809 0.000605 0.500023 Ni\n0.500374 0.249656 0.750014 Ni\n0.000162 0.249679 0.249812 Ni\n0.499661 0.500447 0.000128 Ni\n0.000456 0.999700 0.000090 Bi\n0.000421 0.499674 0.500038 Bi\n0.269494 0.123448 0.607100 O\n0.269620 0.623140 0.107312 O\n0.729163 0.377246 0.893300 O\n0.729404 0.877407 0.392976 O\n0.752488 0.628670 0.618930 O\n0.752373 0.128737 0.118926 O\n0.253629 0.877506 0.373934 O\n0.253527 0.377536 0.874011 O\n0.748609 0.877558 0.868846 O\n0.748488 0.377570 0.368873 O\n0.251431 0.622435 0.631061 O\n0.251141 0.122620 0.130826 O\n0.746601 0.622404 0.126099 O\n0.746644 0.122592 0.626232 O\n0.248217 0.870900 0.880678 O\n0.248215 0.370861 0.380699 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Ni",
"Bi",
"O"
],
"chemical_system": "Bi-Li-Ni-O",
"density": 5.693197333654422,
"density_atomic": 0.10143189499961905,
"volume": 315.4826201375828,
"volume_molar": 5.937127330631669,
"formula_full": "Li8 Ni6 Bi2 O16",
"formula_reduced": "Li4Ni3BiO8",
"formula_anonymous": "AB3C4D8",
"energy": -188.48056046,
"energy_per_atom": -5.890017514375,
"energy_above_hull": null,
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"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -162.24256046,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 10.000762,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:30.245000Z",
"spacegroup": 12
}
]
}