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=is_theoretical&page=53",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_theoretical&page=51",
"results": [
{
"id": "mp-554767",
"created_at": "2022-09-04T14:40:53.074330Z",
"structure_string": "Mg8 V8 O28\n1.0\n8.531706 0.000000 0.000000\n0.000000 6.719652 0.000000\n0.000000 1.807516 9.445666\nMg V O\n8 8 28\ndirect\n0.889184 0.692099 0.181363 Mg\n0.389184 0.307901 0.318637 Mg\n0.878937 0.853055 0.463826 Mg\n0.110816 0.307901 0.818637 Mg\n0.610816 0.692099 0.681363 Mg\n0.121063 0.146945 0.536174 Mg\n0.621063 0.853055 0.963826 Mg\n0.378937 0.146945 0.036174 Mg\n0.242064 0.640533 0.530987 V\n0.742064 0.359467 0.969013 V\n0.479347 0.192279 0.685631 V\n0.257936 0.640533 0.030987 V\n0.979347 0.807721 0.814369 V\n0.520653 0.807721 0.314369 V\n0.757936 0.359467 0.469013 V\n0.020653 0.192279 0.185631 V\n0.620851 0.148683 0.002583 O\n0.141905 0.250546 0.316047 O\n0.625829 0.323690 0.347770 O\n0.923191 0.968857 0.247429 O\n0.858095 0.749454 0.683953 O\n0.132242 0.172777 0.039371 O\n0.879149 0.148683 0.502583 O\n0.576809 0.968857 0.747429 O\n0.631219 0.571749 0.898528 O\n0.129976 0.609680 0.876467 O\n0.120851 0.851317 0.497417 O\n0.641905 0.749454 0.183953 O\n0.367758 0.172777 0.539371 O\n0.870024 0.390320 0.123533 O\n0.632242 0.827223 0.460629 O\n0.379149 0.851317 0.997417 O\n0.076809 0.031143 0.752571 O\n0.370024 0.609680 0.376467 O\n0.868781 0.571749 0.398528 O\n0.125829 0.676310 0.152230 O\n0.423191 0.031143 0.252571 O\n0.374171 0.676310 0.652230 O\n0.629976 0.390320 0.623533 O\n0.131219 0.428251 0.601472 O\n0.358095 0.250546 0.816047 O\n0.867758 0.827223 0.960629 O\n0.368781 0.428251 0.101472 O\n0.874171 0.323690 0.847770 O\n",
"nsites": 44,
"nelements": 3,
"elements": [
"Mg",
"V",
"O"
],
"chemical_system": "Mg-O-V",
"density": 3.219620009722407,
"density_atomic": 0.08125263016501072,
"volume": 541.5209318226775,
"volume_molar": 7.411625627096653,
"formula_full": "Mg8 V8 O28",
"formula_reduced": "Mg2V2O7",
"formula_anonymous": "A2B2C7",
"energy": -341.90857600000004,
"energy_per_atom": -7.770649454545455,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -309.072576,
"band_gap": 2.7317,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0028611,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:59.179000Z",
"spacegroup": 14
},
{
"id": "mp-30539",
"created_at": "2022-09-04T14:40:55.196042Z",
"structure_string": "Y8 W4 O24\n1.0\n5.294636 0.000000 0.000000\n0.000000 9.175955 0.000000\n0.000000 0.000000 10.025313\nY W O\n8 4 24\ndirect\n0.980963 0.603293 0.535144 Y\n0.480963 0.896707 0.464856 Y\n0.019037 0.103293 0.964856 Y\n0.519037 0.396707 0.035144 Y\n0.461309 0.781026 0.870385 Y\n0.961309 0.718974 0.129615 Y\n0.038691 0.218974 0.370385 Y\n0.538691 0.281026 0.629615 Y\n0.961015 0.995528 0.651581 W\n0.461015 0.504472 0.348419 W\n0.038985 0.495528 0.848419 W\n0.538985 0.004472 0.151581 W\n0.753132 0.088590 0.505733 O\n0.253132 0.411410 0.494267 O\n0.246868 0.588590 0.994267 O\n0.746868 0.911410 0.005733 O\n0.231693 0.114955 0.568254 O\n0.731693 0.385045 0.431746 O\n0.768307 0.614955 0.931746 O\n0.268307 0.885045 0.068254 O\n0.086700 0.843104 0.531116 O\n0.586700 0.656896 0.468884 O\n0.913300 0.343104 0.968884 O\n0.413300 0.156896 0.031116 O\n0.692103 0.859391 0.263811 O\n0.192103 0.640609 0.736189 O\n0.307897 0.359391 0.236189 O\n0.807897 0.140609 0.763811 O\n0.325926 0.047689 0.298351 O\n0.825926 0.452311 0.701649 O\n0.681025 0.862439 0.681032 O\n0.174074 0.952311 0.798351 O\n0.818975 0.137561 0.181032 O\n0.318975 0.362439 0.818968 O\n0.181025 0.637561 0.318968 O\n0.674074 0.547689 0.201649 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Y",
"W",
"O"
],
"chemical_system": "O-W-Y",
"density": 6.2410179051662045,
"density_atomic": 0.07391237829070324,
"volume": 487.0632069016795,
"volume_molar": 8.147675530496993,
"formula_full": "Y8 W4 O24",
"formula_reduced": "Y2WO6",
"formula_anonymous": "AB2C6",
"energy": -340.63078104,
"energy_per_atom": -9.46196614,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -306.39078104,
"band_gap": 3.3561,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002754,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:57.450000Z",
"spacegroup": 19
},
{
"id": "mp-1191639",
"created_at": "2022-09-04T14:40:54.132410Z",
"structure_string": "Y6 Al2 Co2 S14\n1.0\n4.790569 -8.297508 0.000000\n4.790569 8.297508 0.000000\n0.000000 0.000000 6.147253\nY Al Co S\n6 2 2 14\ndirect\n0.777072 0.151120 0.224912 Y\n0.374048 0.222928 0.224912 Y\n0.848880 0.625952 0.224912 Y\n0.222928 0.848880 0.724912 Y\n0.625952 0.777072 0.724912 Y\n0.151120 0.374048 0.724912 Y\n0.666667 0.333333 0.649380 Al\n0.333333 0.666667 0.149380 Al\n0.000000 0.000000 0.068162 Co\n0.000000 0.000000 0.568162 Co\n0.871592 0.094005 0.823106 S\n0.222412 0.128408 0.823106 S\n0.905995 0.777588 0.823106 S\n0.128408 0.905995 0.323106 S\n0.777588 0.871592 0.323106 S\n0.094005 0.222412 0.323106 S\n0.910468 0.428237 0.495804 S\n0.517769 0.089532 0.495804 S\n0.571763 0.482231 0.495804 S\n0.089532 0.571763 0.995804 S\n0.482231 0.910468 0.995804 S\n0.428237 0.517769 0.995804 S\n0.666667 0.333333 0.014101 S\n0.333333 0.666667 0.514101 S\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Y",
"Al",
"Co",
"S"
],
"chemical_system": "Al-Co-S-Y",
"density": 3.921703310468951,
"density_atomic": 0.04910948489199435,
"volume": 488.70396528863597,
"volume_molar": 12.262683620576333,
"formula_full": "Y6 Al2 Co2 S14",
"formula_reduced": "Y3AlCoS7",
"formula_anonymous": "ABC3D7",
"energy": -162.61582283,
"energy_per_atom": -6.775659284583334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -155.57382283,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9987547,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:57.165000Z",
"spacegroup": 173
},
{
"id": "mp-5055",
"created_at": "2022-09-04T14:40:52.410438Z",
"structure_string": "Na12 Mn2 S8\n1.0\n4.504729 -7.802419 0.000000\n4.504729 7.802419 0.000000\n0.000000 0.000000 6.984069\nNa Mn S\n12 2 8\ndirect\n0.532650 0.065299 0.367894 Na\n0.467350 0.532650 0.867894 Na\n0.146607 0.853393 0.536360 Na\n0.293214 0.146607 0.036360 Na\n0.853393 0.706786 0.036360 Na\n0.146607 0.293214 0.536360 Na\n0.706786 0.853393 0.536360 Na\n0.853393 0.146607 0.036360 Na\n0.532650 0.467350 0.367894 Na\n0.934701 0.467350 0.367894 Na\n0.467350 0.934701 0.867894 Na\n0.065299 0.532650 0.867894 Na\n0.666667 0.333333 0.750883 Mn\n0.333333 0.666667 0.250883 Mn\n0.186883 0.373766 0.142693 S\n0.626234 0.813117 0.142693 S\n0.333333 0.666667 0.595775 S\n0.666667 0.333333 0.095775 S\n0.186883 0.813117 0.142693 S\n0.813117 0.186883 0.642693 S\n0.813117 0.626234 0.642693 S\n0.373766 0.186883 0.642693 S\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Na",
"Mn",
"S"
],
"chemical_system": "Mn-Na-S",
"density": 2.1723636391583936,
"density_atomic": 0.04481116404807512,
"volume": 490.9490852859248,
"volume_molar": 13.438929534477655,
"formula_full": "Na12 Mn2 S8",
"formula_reduced": "Na6MnS4",
"formula_anonymous": "AB4C6",
"energy": -93.52210701,
"energy_per_atom": -4.251004864090909,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -89.49810700999998,
"band_gap": 1.4003,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 9.999926,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:58.193000Z",
"spacegroup": 186
},
{
"id": "mp-13498",
"created_at": "2022-09-04T14:40:54.134962Z",
"structure_string": "Tb2 Mg1\n1.0\n-1.830008 1.830008 6.519338\n1.830008 -1.830008 6.519338\n1.830008 1.830008 -6.519338\nTb Mg\n2 1\ndirect\n0.659808 0.659808 0.000000 Tb\n0.340192 0.340192 0.000000 Tb\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Tb",
"Mg"
],
"chemical_system": "Mg-Tb",
"density": 6.505840488616375,
"density_atomic": 0.03435198115778382,
"volume": 87.33120765933553,
"volume_molar": 17.53069417551029,
"formula_full": "Tb2 Mg1",
"formula_reduced": "Tb2Mg",
"formula_anonymous": "AB2",
"energy": -10.99066403,
"energy_per_atom": -3.6635546766666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.99066403,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.3092949,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:00.682000Z",
"spacegroup": 139
},
{
"id": "mp-21263",
"created_at": "2022-09-04T14:40:54.136784Z",
"structure_string": "Pu1 Sb1\n1.0\n3.769782 0.000000 0.000000\n0.000000 3.769782 0.000000\n0.000000 0.000000 3.769782\nPu Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Pu\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pu",
"Sb"
],
"chemical_system": "Pu-Sb",
"density": 11.33695954484827,
"density_atomic": 0.03733200251153512,
"volume": 53.573338300886086,
"volume_molar": 16.131309211551763,
"formula_full": "Pu1 Sb1",
"formula_reduced": "PuSb",
"formula_anonymous": "AB",
"energy": -19.74155238,
"energy_per_atom": -9.87077619,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.54955238,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.6347841,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:57.274000Z",
"spacegroup": 221
},
{
"id": "mp-683965",
"created_at": "2022-09-04T14:40:53.063472Z",
"structure_string": "C72 F36\n1.0\n6.832479 -10.405781 0.000000\n6.832479 10.405781 0.000000\n-9.015397 0.000000 8.584035\nC F\n72 36\ndirect\n0.884741 0.224166 0.071055 C\n0.759296 0.133362 0.251089 C\n0.777971 0.948037 0.635548 C\n0.677482 0.677838 0.896075 C\n0.286092 0.407374 0.291671 C\n0.837866 0.609822 0.811742 C\n0.521020 0.318648 0.089104 C\n0.133362 0.251089 0.759296 C\n0.407374 0.291671 0.286092 C\n0.188258 0.162134 0.390178 C\n0.801196 0.699540 0.997477 C\n0.390178 0.188258 0.162134 C\n0.364779 0.373035 0.250051 C\n0.949729 0.212452 0.900125 C\n0.900125 0.949729 0.212452 C\n0.592627 0.708329 0.713908 C\n0.699540 0.997477 0.801196 C\n0.681352 0.910896 0.478980 C\n0.671540 0.957888 0.885990 C\n0.885990 0.671540 0.957888 C\n0.322162 0.103925 0.322518 C\n0.713908 0.592626 0.708329 C\n0.957888 0.885990 0.671540 C\n0.212452 0.900125 0.949729 C\n0.114010 0.328460 0.042112 C\n0.322518 0.322162 0.103925 C\n0.291671 0.286092 0.407374 C\n0.175936 0.825669 0.089969 C\n0.002523 0.198804 0.300460 C\n0.825669 0.089969 0.175936 C\n0.626965 0.749949 0.635221 C\n0.928945 0.115259 0.775834 C\n0.635548 0.777971 0.948037 C\n0.198804 0.300460 0.002523 C\n0.071055 0.884741 0.224166 C\n0.910896 0.478980 0.681352 C\n0.250051 0.364779 0.373035 C\n0.318648 0.089104 0.521020 C\n0.896075 0.677482 0.677838 C\n0.103925 0.322518 0.322162 C\n0.099875 0.050271 0.787548 C\n0.364452 0.222029 0.051963 C\n0.775834 0.928945 0.115259 C\n0.222029 0.051963 0.364452 C\n0.787548 0.099875 0.050271 C\n0.224166 0.071055 0.884741 C\n0.478980 0.681352 0.910896 C\n0.910031 0.824064 0.174331 C\n0.373035 0.250051 0.364779 C\n0.050271 0.787548 0.099875 C\n0.251089 0.759296 0.133362 C\n0.042112 0.114010 0.328460 C\n0.811742 0.837866 0.609822 C\n0.748911 0.240704 0.866638 C\n0.174331 0.910031 0.824064 C\n0.089104 0.521020 0.318648 C\n0.328460 0.042112 0.114010 C\n0.677838 0.896075 0.677482 C\n0.300460 0.002523 0.198804 C\n0.749949 0.635221 0.626965 C\n0.997477 0.801196 0.699540 C\n0.948037 0.635548 0.777971 C\n0.051963 0.364452 0.222029 C\n0.635221 0.626965 0.749949 C\n0.115259 0.775834 0.928945 C\n0.089969 0.175936 0.825669 C\n0.824064 0.174331 0.910031 C\n0.609822 0.811742 0.837866 C\n0.240704 0.866638 0.748911 C\n0.708329 0.713908 0.592626 C\n0.162134 0.390178 0.188258 C\n0.866638 0.748911 0.240704 C\n0.496357 0.665609 0.016422 F\n0.397703 0.959847 0.855662 F\n0.282068 0.320832 0.821144 F\n0.205943 0.879399 0.638912 F\n0.983578 0.503643 0.334391 F\n0.767539 0.373680 0.535673 F\n0.503643 0.334391 0.983578 F\n0.535673 0.767539 0.373680 F\n0.585432 0.253114 0.094570 F\n0.320832 0.821144 0.282068 F\n0.232461 0.626320 0.464327 F\n0.855662 0.397703 0.959847 F\n0.665609 0.016422 0.496357 F\n0.094570 0.585432 0.253114 F\n0.959847 0.855662 0.397703 F\n0.879399 0.638912 0.205943 F\n0.120601 0.361088 0.794057 F\n0.746886 0.905430 0.414568 F\n0.040153 0.144338 0.602297 F\n0.626320 0.464327 0.232461 F\n0.253114 0.094570 0.585432 F\n0.602297 0.040153 0.144338 F\n0.361088 0.794057 0.120601 F\n0.144338 0.602297 0.040153 F\n0.178856 0.717932 0.679168 F\n0.464327 0.232461 0.626320 F\n0.638912 0.205943 0.879399 F\n0.414568 0.746886 0.905430 F\n0.794057 0.120601 0.361088 F\n0.016422 0.496357 0.665609 F\n0.821144 0.282068 0.320832 F\n0.679168 0.178856 0.717932 F\n0.334391 0.983578 0.503643 F\n0.373680 0.535673 0.767539 F\n0.717932 0.679168 0.178856 F\n0.905430 0.414568 0.746886 F\n",
"nsites": 108,
"nelements": 2,
"elements": [
"C",
"F"
],
"chemical_system": "C-F",
"density": 2.106907917295483,
"density_atomic": 0.08848085142353633,
"volume": 1220.6030826153587,
"volume_molar": 6.806151458888518,
"formula_full": "C72 F36",
"formula_reduced": "C2F",
"formula_anonymous": "AB2",
"energy": -805.14992951,
"energy_per_atom": -7.455091939907407,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -788.51792951,
"band_gap": 2.0832,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007557,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:59.381000Z",
"spacegroup": 148
},
{
"id": "mp-11500",
"created_at": "2022-09-04T14:40:55.292274Z",
"structure_string": "Mn1 Ni1\n1.0\n2.916205 0.000000 0.000000\n0.000000 2.916205 0.000000\n0.000000 0.000000 2.916205\nMn Ni\n1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Ni\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mn",
"Ni"
],
"chemical_system": "Mn-Ni",
"density": 7.608402439684274,
"density_atomic": 0.08064470264606796,
"volume": 24.80014104308332,
"volume_molar": 7.467497011465048,
"formula_full": "Mn1 Ni1",
"formula_reduced": "MnNi",
"formula_anonymous": "AB",
"energy": -15.02562487,
"energy_per_atom": -7.512812435,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.02562487,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.3914473,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:58.258000Z",
"spacegroup": 221
},
{
"id": "mp-729139",
"created_at": "2022-09-04T14:40:55.261531Z",
"structure_string": "Na1 Nb6 O16\n1.0\n5.263156 -7.536138 0.000000\n5.263156 7.536138 0.000000\n0.000000 0.000000 3.931465\nNa Nb O\n1 6 16\ndirect\n0.403184 0.596816 0.500000 Na\n0.996987 0.003013 0.000000 Nb\n0.211248 0.788752 0.000000 Nb\n0.381162 0.258994 0.000000 Nb\n0.741006 0.618838 0.000000 Nb\n0.627985 0.999932 0.000000 Nb\n0.000068 0.372015 0.000000 Nb\n0.997330 0.002670 0.500000 O\n0.223659 0.776341 0.500000 O\n0.367678 0.278064 0.500000 O\n0.721936 0.632322 0.500000 O\n0.632716 0.012140 0.500000 O\n0.987860 0.367284 0.500000 O\n0.232388 0.012388 0.000000 O\n0.987612 0.767612 0.000000 O\n0.442686 0.821519 0.000000 O\n0.178481 0.557314 0.000000 O\n0.759213 0.851247 0.000000 O\n0.148753 0.240787 0.000000 O\n0.535802 0.166070 0.000000 O\n0.833930 0.464198 0.000000 O\n0.859765 0.140235 0.000000 O\n0.516553 0.483447 0.000000 O\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Na",
"Nb",
"O"
],
"chemical_system": "Na-Nb-O",
"density": 4.45341539947596,
"density_atomic": 0.07374767640614031,
"volume": 311.87423280070954,
"volume_molar": 8.16587186670818,
"formula_full": "Na1 Nb6 O16",
"formula_reduced": "NaNb6O16",
"formula_anonymous": "AB6C16",
"energy": -207.59980502,
"energy_per_atom": -9.026078479130435,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -196.60780502000003,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0427532,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:58.054000Z",
"spacegroup": 38
},
{
"id": "mp-1190530",
"created_at": "2022-09-04T14:40:55.266985Z",
"structure_string": "Ba3 Ge16 Ir4\n1.0\n-3.298504 3.298504 11.352434\n3.298504 -3.298504 11.352434\n3.298504 3.298504 -11.352434\nBa Ge Ir\n3 16 4\ndirect\n0.750000 0.250000 0.500000 Ba\n0.250000 0.750000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.115446 0.115446 0.491152 Ge\n0.624294 0.624294 0.508848 Ge\n0.115446 0.624294 0.000000 Ge\n0.624294 0.115446 0.000000 Ge\n0.884554 0.884554 0.508848 Ge\n0.375706 0.375706 0.491152 Ge\n0.884554 0.375706 0.000000 Ge\n0.375706 0.884554 0.000000 Ge\n0.223919 0.500000 0.723919 Ge\n0.776081 0.500000 0.276081 Ge\n0.500000 0.776081 0.276081 Ge\n0.500000 0.223919 0.723919 Ge\n0.805574 0.805574 0.000000 Ge\n0.194426 0.194426 0.000000 Ge\n0.692418 0.692418 0.000000 Ge\n0.307582 0.307582 0.000000 Ge\n0.910626 0.410626 0.500000 Ir\n0.410626 0.910626 0.500000 Ir\n0.089374 0.589374 0.500000 Ir\n0.589374 0.089374 0.500000 Ir\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Ba",
"Ge",
"Ir"
],
"chemical_system": "Ba-Ge-Ir",
"density": 7.875078207255153,
"density_atomic": 0.046552695094348694,
"volume": 494.0637690983461,
"volume_molar": 12.936180704027732,
"formula_full": "Ba3 Ge16 Ir4",
"formula_reduced": "Ba3(Ge4Ir)4",
"formula_anonymous": "A3B4C16",
"energy": -123.87378137999998,
"energy_per_atom": -5.38581658173913,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -123.87378137999998,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0055143,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:59.200000Z",
"spacegroup": 139
},
{
"id": "mp-567114",
"created_at": "2022-09-04T14:40:53.097794Z",
"structure_string": "Sr2 Bi4 Pd4\n1.0\n4.848863 0.000000 0.000000\n0.000000 4.956597 0.000000\n0.000000 0.419142 10.940921\nSr Bi Pd\n2 4 4\ndirect\n0.250000 0.740230 0.763322 Sr\n0.750000 0.259770 0.236678 Sr\n0.250000 0.791086 0.119529 Bi\n0.750000 0.208914 0.880471 Bi\n0.750000 0.749936 0.501609 Bi\n0.250000 0.250064 0.498391 Bi\n0.250000 0.758196 0.369607 Pd\n0.750000 0.241804 0.630393 Pd\n0.250000 0.309287 0.000033 Pd\n0.750000 0.690713 0.999967 Pd\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Sr",
"Bi",
"Pd"
],
"chemical_system": "Bi-Pd-Sr",
"density": 9.073619959127447,
"density_atomic": 0.03802967328861737,
"volume": 262.9525613882434,
"volume_molar": 15.835373378825429,
"formula_full": "Sr2 Bi4 Pd4",
"formula_reduced": "Sr(BiPd)2",
"formula_anonymous": "AB2C2",
"energy": -45.65597888,
"energy_per_atom": -4.565597888,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.65597888,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0042122,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:59.781000Z",
"spacegroup": 11
},
{
"id": "mp-1189509",
"created_at": "2022-09-04T14:40:59.460148Z",
"structure_string": "Yb12 Ni4\n1.0\n6.366943 0.000000 0.000000\n0.000000 7.224218 0.000000\n0.000000 0.000000 9.612115\nYb Ni\n12 4\ndirect\n0.330728 0.672078 0.070056 Yb\n0.169272 0.172078 0.429944 Yb\n0.669272 0.327922 0.570056 Yb\n0.830728 0.827922 0.929944 Yb\n0.669272 0.327922 0.929944 Yb\n0.830728 0.827922 0.570056 Yb\n0.330728 0.672078 0.429944 Yb\n0.169272 0.172078 0.070056 Yb\n0.855688 0.546286 0.250000 Yb\n0.644312 0.046286 0.250000 Yb\n0.144312 0.453714 0.750000 Yb\n0.355688 0.953714 0.750000 Yb\n0.052352 0.886969 0.250000 Ni\n0.447648 0.386969 0.250000 Ni\n0.947648 0.113031 0.750000 Ni\n0.552352 0.613031 0.750000 Ni\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Yb",
"Ni"
],
"chemical_system": "Ni-Yb",
"density": 8.68072374036021,
"density_atomic": 0.03618921975931229,
"volume": 442.1206123374032,
"volume_molar": 16.64070350245772,
"formula_full": "Yb12 Ni4",
"formula_reduced": "Yb3Ni",
"formula_anonymous": "AB3",
"energy": -44.73963839,
"energy_per_atom": -2.796227399375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.73963839,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.5e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:10.745000Z",
"spacegroup": 62
}
]
}