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_gap_direct&page=10396",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_gap_direct&page=10394",
"results": [
{
"id": "mp-5321",
"created_at": "2022-09-04T14:46:24.375368Z",
"structure_string": "Ho7 Co6 Sn23\n1.0\n4.852709 -8.405138 0.000000\n4.852709 8.405138 0.000000\n0.000000 0.000000 9.931453\nHo Co Sn\n7 6 23\ndirect\n0.000000 0.000000 0.000000 Ho\n0.521350 0.478650 0.692782 Ho\n0.521350 0.042699 0.692782 Ho\n0.957301 0.478650 0.692782 Ho\n0.042699 0.521350 0.307218 Ho\n0.478650 0.957301 0.307218 Ho\n0.478650 0.521350 0.307218 Ho\n0.167977 0.832023 0.802415 Co\n0.167977 0.335954 0.802415 Co\n0.664046 0.832023 0.802415 Co\n0.335954 0.167977 0.197585 Co\n0.832023 0.664046 0.197585 Co\n0.832023 0.167977 0.197585 Co\n0.666667 0.333333 0.180003 Sn\n0.666667 0.333333 0.883804 Sn\n0.333333 0.666667 0.116196 Sn\n0.346693 0.346693 0.000000 Sn\n0.000000 0.653307 0.000000 Sn\n0.653307 0.000000 0.000000 Sn\n0.653307 0.653307 0.000000 Sn\n0.333333 0.666667 0.819997 Sn\n0.436353 0.218177 0.452621 Sn\n0.218177 0.781823 0.547379 Sn\n0.218177 0.436353 0.547379 Sn\n0.563647 0.781823 0.547379 Sn\n0.117504 0.882496 0.274128 Sn\n0.781823 0.563647 0.452621 Sn\n0.781823 0.218177 0.452621 Sn\n0.346693 0.000000 0.000000 Sn\n0.117504 0.235008 0.274128 Sn\n0.764992 0.882496 0.274128 Sn\n0.235008 0.117504 0.725872 Sn\n0.882496 0.764992 0.725872 Sn\n0.882496 0.117504 0.725872 Sn\n0.000000 0.000000 0.500000 Sn\n0.000000 0.346693 0.000000 Sn\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Ho",
"Co",
"Sn"
],
"chemical_system": "Co-Ho-Sn",
"density": 8.687271547129418,
"density_atomic": 0.044435555744263125,
"volume": 810.1620289659097,
"volume_molar": 13.552527157888628,
"formula_full": "Ho7 Co6 Sn23",
"formula_reduced": "Ho7Co6Sn23",
"formula_anonymous": "A6B7C23",
"energy": -181.47804135,
"energy_per_atom": -5.041056704166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -181.47804135,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0119632,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:35.340000Z",
"spacegroup": 164
},
{
"id": "mp-1103309",
"created_at": "2022-09-04T14:46:24.386050Z",
"structure_string": "Cu2 W2 O8\n1.0\n5.579047 0.000000 0.000000\n0.000000 4.712824 0.000000\n0.000000 0.326045 5.155633\nCu W O\n2 2 8\ndirect\n0.336174 0.500000 0.250000 Cu\n0.663826 0.500000 0.750000 Cu\n0.817622 0.000000 0.250000 W\n0.182378 0.000000 0.750000 W\n0.608253 0.746113 0.120721 O\n0.608253 0.253887 0.379279 O\n0.391747 0.253887 0.879279 O\n0.391747 0.746113 0.620721 O\n0.106063 0.778770 0.076745 O\n0.106063 0.221230 0.423255 O\n0.893937 0.221230 0.923255 O\n0.893937 0.778770 0.576745 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Cu",
"W",
"O"
],
"chemical_system": "Cu-O-W",
"density": 7.628718543250686,
"density_atomic": 0.0885233844719261,
"volume": 135.55740182759985,
"volume_molar": 6.802881290547396,
"formula_full": "Cu2 W2 O8",
"formula_reduced": "CuWO4",
"formula_anonymous": "ABC4",
"energy": -93.94786933,
"energy_per_atom": -7.828989110833334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -79.57586933,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9996806,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:34.379000Z",
"spacegroup": 13
},
{
"id": "mp-1038921",
"created_at": "2022-09-04T14:46:24.436504Z",
"structure_string": "Mg5 Bi1\n1.0\n5.594204 -2.811317 0.000000\n5.594204 2.811317 0.000000\n4.181402 0.000000 4.659881\nMg Bi\n5 1\ndirect\n0.000000 0.668213 0.331787 Mg\n0.167025 0.167025 0.167025 Mg\n0.331787 0.000000 0.668213 Mg\n0.668213 0.331787 0.000000 Mg\n0.832975 0.832975 0.832975 Mg\n0.500000 0.500000 0.500000 Bi\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Bi"
],
"chemical_system": "Bi-Mg",
"density": 3.7443351685955455,
"density_atomic": 0.0409353313664947,
"volume": 146.5726500729138,
"volume_molar": 14.711352171755188,
"formula_full": "Mg5 Bi1",
"formula_reduced": "Mg5Bi",
"formula_anonymous": "AB5",
"energy": -11.98679736,
"energy_per_atom": -1.99779956,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.98679736,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0179923,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:40.424000Z",
"spacegroup": 155
},
{
"id": "mp-1184570",
"created_at": "2022-09-04T14:46:24.444961Z",
"structure_string": "Hf3 Ni1\n1.0\n4.244663 0.000000 0.000000\n0.000000 4.244663 0.000000\n0.000000 0.000000 4.244663\nHf Ni\n3 1\ndirect\n0.000000 0.500000 0.500000 Hf\n0.500000 0.000000 0.500000 Hf\n0.500000 0.500000 0.000000 Hf\n0.000000 0.000000 0.000000 Ni\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Hf",
"Ni"
],
"chemical_system": "Hf-Ni",
"density": 12.901058560896075,
"density_atomic": 0.052303450958822356,
"volume": 76.47678932598795,
"volume_molar": 11.513849754849124,
"formula_full": "Hf3 Ni1",
"formula_reduced": "Hf3Ni",
"formula_anonymous": "AB3",
"energy": -35.50739334,
"energy_per_atom": -8.876848335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.50739334,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0019852,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:31.913000Z",
"spacegroup": 221
},
{
"id": "mp-1112989",
"created_at": "2022-09-04T14:46:24.571527Z",
"structure_string": "Cs2 Na1 Eu1 Cl6\n1.0\n0.000000 5.515999 5.515999\n5.515999 0.000000 5.515999\n5.515999 5.515999 0.000000\nCs Na Eu Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Eu\n0.753271 0.246729 0.246729 Cl\n0.246729 0.246729 0.753271 Cl\n0.246729 0.753271 0.753271 Cl\n0.246729 0.753271 0.246729 Cl\n0.753271 0.246729 0.753271 Cl\n0.753271 0.753271 0.246729 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Na",
"Eu",
"Cl"
],
"chemical_system": "Cl-Cs-Eu-Na",
"density": 3.2328134354983806,
"density_atomic": 0.029791849681888912,
"volume": 335.66227363449707,
"volume_molar": 20.21405459648578,
"formula_full": "Cs2 Na1 Eu1 Cl6",
"formula_reduced": "Cs2NaEuCl6",
"formula_anonymous": "ABC2D6",
"energy": -47.59966046,
"energy_per_atom": -4.759966046000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.91566046,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0395366,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:34.188000Z",
"spacegroup": 225
},
{
"id": "mp-770658",
"created_at": "2022-09-04T14:46:24.394424Z",
"structure_string": "Li2 Ni1 Sn3 P6 O24\n1.0\n7.720175 -4.388747 0.000000\n7.720175 4.388747 0.000000\n5.225271 0.000000 7.180442\nLi Ni Sn P O\n2 1 3 6 24\ndirect\n0.017559 0.017559 0.017559 Li\n0.499030 0.499030 0.499030 Li\n0.146116 0.146116 0.146116 Ni\n0.855941 0.855941 0.855941 Sn\n0.643696 0.643696 0.643696 Sn\n0.354406 0.354406 0.354406 Sn\n0.248751 0.538781 0.956748 P\n0.956748 0.248751 0.538781 P\n0.538781 0.956748 0.248751 P\n0.450742 0.045388 0.753762 P\n0.045388 0.753762 0.450742 P\n0.753762 0.450742 0.045388 P\n0.700645 0.484992 0.886891 O\n0.484992 0.886891 0.700645 O\n0.085166 0.728522 0.937791 O\n0.886891 0.700645 0.484992 O\n0.413309 0.560271 0.765419 O\n0.200995 0.380648 0.990888 O\n0.937791 0.085166 0.728522 O\n0.765419 0.413309 0.560271 O\n0.560271 0.765419 0.413309 O\n0.613887 0.012281 0.797793 O\n0.265001 0.065032 0.917148 O\n0.012281 0.797793 0.613887 O\n0.990888 0.200995 0.380648 O\n0.728522 0.937791 0.085166 O\n0.380648 0.990888 0.200995 O\n0.433789 0.234622 0.587356 O\n0.234622 0.587356 0.433789 O\n0.065032 0.917148 0.265001 O\n0.797793 0.613887 0.012281 O\n0.587356 0.433789 0.234622 O\n0.110891 0.301666 0.514073 O\n0.917148 0.265001 0.065032 O\n0.514073 0.110891 0.301666 O\n0.301666 0.514073 0.110891 O\n",
"nsites": 36,
"nelements": 5,
"elements": [
"Li",
"Ni",
"Sn",
"P",
"O"
],
"chemical_system": "Li-Ni-O-P-Sn",
"density": 3.4077121574923392,
"density_atomic": 0.07398669640390067,
"volume": 486.5739619386768,
"volume_molar": 8.139491358182207,
"formula_full": "Li2 Ni1 Sn3 P6 O24",
"formula_reduced": "Li2NiSn3(PO4)6",
"formula_anonymous": "AB2C3D6E24",
"energy": -258.43972309000003,
"energy_per_atom": -7.178881196944445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -239.41072309000003,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.000141,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:31.573000Z",
"spacegroup": 146
},
{
"id": "mp-1210758",
"created_at": "2022-09-04T14:46:24.403014Z",
"structure_string": "Na24 Y8 P16 O64\n1.0\n5.335069 0.000000 0.000000\n0.000000 13.969288 0.000000\n0.000000 0.000000 18.610240\nNa Y P O\n24 8 16 64\ndirect\n0.008727 0.782973 0.507852 Na\n0.991273 0.217027 0.007852 Na\n0.991273 0.282973 0.507852 Na\n0.008727 0.717027 0.007852 Na\n0.007263 0.047921 0.850876 Na\n0.992737 0.952079 0.350876 Na\n0.992737 0.547921 0.850876 Na\n0.007263 0.452079 0.350876 Na\n0.002810 0.138626 0.672240 Na\n0.997190 0.861374 0.172240 Na\n0.997190 0.638626 0.672240 Na\n0.002810 0.361374 0.172240 Na\n0.519944 0.202872 0.770938 Na\n0.480056 0.797128 0.270938 Na\n0.480056 0.702872 0.770938 Na\n0.519944 0.297128 0.270938 Na\n0.461936 0.031175 0.611986 Na\n0.538064 0.968825 0.111986 Na\n0.538064 0.531175 0.611986 Na\n0.461936 0.468825 0.111986 Na\n0.499628 0.111858 0.950475 Na\n0.500372 0.888142 0.450475 Na\n0.500372 0.611858 0.950475 Na\n0.499628 0.388142 0.450475 Na\n0.071026 0.388838 0.695669 Y\n0.928974 0.611162 0.195669 Y\n0.928974 0.888838 0.695669 Y\n0.071026 0.111162 0.195669 Y\n0.444009 0.361505 0.927265 Y\n0.555991 0.638495 0.427265 Y\n0.555991 0.861505 0.927265 Y\n0.444009 0.138495 0.427265 Y\n0.030785 0.524578 0.518848 P\n0.969215 0.475422 0.018848 P\n0.969215 0.024578 0.518848 P\n0.030785 0.975422 0.018848 P\n0.007593 0.777311 0.847299 P\n0.992407 0.222689 0.347299 P\n0.992407 0.277311 0.847299 P\n0.007593 0.722689 0.347299 P\n0.519600 0.473372 0.775201 P\n0.480400 0.526628 0.275201 P\n0.480400 0.973372 0.775201 P\n0.519600 0.026628 0.275201 P\n0.538369 0.273559 0.603862 P\n0.461631 0.726441 0.103862 P\n0.461631 0.773559 0.603862 P\n0.538369 0.226441 0.103862 P\n0.426467 0.191715 0.649420 O\n0.573533 0.808285 0.149420 O\n0.573533 0.691715 0.649420 O\n0.426467 0.308285 0.149420 O\n0.301963 0.527575 0.736400 O\n0.698037 0.472425 0.236400 O\n0.698037 0.027575 0.736400 O\n0.301963 0.972425 0.236400 O\n0.121132 0.118648 0.505880 O\n0.878868 0.881352 0.005880 O\n0.878868 0.618648 0.505880 O\n0.121132 0.381352 0.005880 O\n0.207531 0.224175 0.888145 O\n0.792469 0.775825 0.388145 O\n0.792469 0.724175 0.888145 O\n0.207531 0.275825 0.388145 O\n0.313465 0.540789 0.499416 O\n0.686535 0.459211 0.999416 O\n0.686535 0.040789 0.499416 O\n0.313465 0.959211 0.999416 O\n0.080204 0.557114 0.972964 O\n0.919796 0.442886 0.472964 O\n0.919796 0.057114 0.972964 O\n0.080204 0.942886 0.472964 O\n0.227814 0.000137 0.738576 O\n0.772186 0.999863 0.238576 O\n0.772186 0.500137 0.738576 O\n0.227814 0.499863 0.238576 O\n0.385344 0.367573 0.615294 O\n0.614656 0.632427 0.115294 O\n0.614656 0.867573 0.615294 O\n0.385344 0.132427 0.115294 O\n0.464593 0.365089 0.769250 O\n0.535407 0.634911 0.269250 O\n0.535407 0.865089 0.769250 O\n0.464593 0.134911 0.269250 O\n0.046254 0.385621 0.852215 O\n0.953746 0.614379 0.352215 O\n0.953746 0.885621 0.852215 O\n0.046254 0.114379 0.352215 O\n0.180930 0.791067 0.625653 O\n0.819070 0.208933 0.125653 O\n0.819070 0.291067 0.625653 O\n0.180930 0.708933 0.125653 O\n0.008156 0.746354 0.766865 O\n0.991844 0.253646 0.266865 O\n0.991844 0.246354 0.766865 O\n0.008156 0.753646 0.266865 O\n0.473417 0.002558 0.855986 O\n0.526583 0.997442 0.355986 O\n0.526583 0.502558 0.855986 O\n0.473417 0.497442 0.355986 O\n0.992977 0.001989 0.600770 O\n0.007023 0.998011 0.100770 O\n0.007023 0.501989 0.600770 O\n0.992977 0.498011 0.100770 O\n0.737541 0.250506 0.882201 O\n0.262459 0.749494 0.382201 O\n0.262459 0.750506 0.882201 O\n0.737541 0.249494 0.382201 O\n0.531687 0.250592 0.521850 O\n0.468313 0.749408 0.021850 O\n0.468313 0.750592 0.521850 O\n0.531687 0.249408 0.021850 O\n",
"nsites": 112,
"nelements": 4,
"elements": [
"Na",
"Y",
"P",
"O"
],
"chemical_system": "Na-O-P-Y",
"density": 3.331384070369773,
"density_atomic": 0.08075171172185572,
"volume": 1386.9675033735145,
"volume_molar": 7.457601370411679,
"formula_full": "Na24 Y8 P16 O64",
"formula_reduced": "Na3Y(PO4)2",
"formula_anonymous": "AB2C3D8",
"energy": -816.6914585999999,
"energy_per_atom": -7.291888023214285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -772.7234586,
"band_gap": 4.964,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0052134,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:37.061000Z",
"spacegroup": 29
},
{
"id": "mp-756116",
"created_at": "2022-09-04T14:46:24.674481Z",
"structure_string": "Na8 Co4 O12\n1.0\n0.000000 4.386982 8.929624\n3.158671 0.000000 8.929624\n3.158671 4.386982 0.000000\nNa Co O\n8 4 12\ndirect\n0.992701 0.992701 0.507299 Na\n0.420963 0.420963 0.579037 Na\n0.829037 0.829037 0.670963 Na\n0.257299 0.257299 0.742701 Na\n0.742701 0.742701 0.257299 Na\n0.670963 0.670963 0.829037 Na\n0.579037 0.579037 0.420963 Na\n0.507299 0.507299 0.992701 Na\n0.912435 0.912435 0.087565 Co\n0.337565 0.337565 0.162435 Co\n0.162435 0.162435 0.337565 Co\n0.087565 0.087565 0.912435 Co\n0.650201 0.157018 0.894033 O\n0.157018 0.650201 0.298748 O\n0.599799 0.092982 0.355967 O\n0.092982 0.599799 0.951252 O\n0.441853 0.058147 0.058147 O\n0.058147 0.441853 0.441853 O\n0.951252 0.355967 0.092982 O\n0.355967 0.951252 0.599799 O\n0.298748 0.894033 0.157018 O\n0.894033 0.298748 0.650201 O\n0.808147 0.191853 0.191853 O\n0.191853 0.808147 0.808147 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Na",
"Co",
"O"
],
"chemical_system": "Co-Na-O",
"density": 4.104064852553671,
"density_atomic": 0.09697902823576714,
"volume": 247.47618569298558,
"volume_molar": 6.209735104129405,
"formula_full": "Na8 Co4 O12",
"formula_reduced": "Na2CoO3",
"formula_anonymous": "AB2C3",
"energy": -132.03700412,
"energy_per_atom": -5.501541838333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -117.24100412,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0688002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:34.482000Z",
"spacegroup": 70
},
{
"id": "mp-755164",
"created_at": "2022-09-04T14:46:24.686062Z",
"structure_string": "Mn6 O11 F1\n1.0\n3.168532 -3.213495 0.000000\n3.168532 3.213495 0.000000\n0.000000 0.000000 8.974585\nMn O F\n6 11 1\ndirect\n0.992702 0.007298 0.825579 Mn\n0.000966 0.999034 0.500000 Mn\n0.992702 0.007298 0.174421 Mn\n0.519388 0.480612 0.000000 Mn\n0.496902 0.503098 0.666635 Mn\n0.496902 0.503098 0.333365 Mn\n0.803859 0.196141 0.664762 O\n0.803859 0.196141 0.335238 O\n0.809831 0.190169 0.000000 O\n0.305149 0.305653 0.833716 O\n0.305943 0.306026 0.500000 O\n0.305149 0.305653 0.166284 O\n0.694347 0.694851 0.833716 O\n0.693974 0.694057 0.500000 O\n0.694347 0.694851 0.166284 O\n0.192434 0.807566 0.665581 O\n0.192434 0.807566 0.334419 O\n0.199114 0.800886 0.000000 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.766657024383417,
"density_atomic": 0.09849006139347899,
"volume": 182.75955710990934,
"volume_molar": 6.11446543417296,
"formula_full": "Mn6 O11 F1",
"formula_reduced": "Mn6O11F",
"formula_anonymous": "AB6C11",
"energy": -144.70810519,
"energy_per_atom": -8.039339177222223,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -126.68110519,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 19.0001422,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:29.873000Z",
"spacegroup": 38
},
{
"id": "mp-1184823",
"created_at": "2022-09-04T14:46:24.694531Z",
"structure_string": "Ho1 In1 Pt2\n1.0\n0.000000 3.398102 3.398102\n3.398102 0.000000 3.398102\n3.398102 3.398102 0.000000\nHo In Pt\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ho\n0.000000 0.000000 0.000000 In\n0.250000 0.250000 0.250000 Pt\n0.750000 0.750000 0.750000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ho",
"In",
"Pt"
],
"chemical_system": "Ho-In-Pt",
"density": 14.175240212813131,
"density_atomic": 0.05097071938648901,
"volume": 78.47642819536689,
"volume_molar": 11.814902423363307,
"formula_full": "Ho1 In1 Pt2",
"formula_reduced": "HoInPt2",
"formula_anonymous": "ABC2",
"energy": -23.12896915,
"energy_per_atom": -5.7822422875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.12896915,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011592,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:35.563000Z",
"spacegroup": 225
},
{
"id": "mp-1103976",
"created_at": "2022-09-04T14:46:24.736685Z",
"structure_string": "Ho1 Al8 Cr4\n1.0\n0.000000 0.000000 5.062835\n-4.453624 4.453624 2.531417\n-4.453624 -4.453624 2.531417\nHo Al Cr\n1 8 4\ndirect\n0.000000 0.000000 0.000000 Ho\n0.000000 0.335395 0.664605 Al\n0.000000 0.664605 0.335395 Al\n0.664605 0.335395 0.335395 Al\n0.335395 0.664605 0.664605 Al\n0.500000 0.777667 0.222333 Al\n0.500000 0.222333 0.777667 Al\n0.722333 0.777667 0.777667 Al\n0.277667 0.222333 0.222333 Al\n0.000000 0.000000 0.500000 Cr\n0.500000 0.000000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n0.000000 0.500000 0.000000 Cr\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ho",
"Al",
"Cr"
],
"chemical_system": "Al-Cr-Ho",
"density": 4.867900717280659,
"density_atomic": 0.06472804432266424,
"volume": 200.8403024691433,
"volume_molar": 9.303758244231974,
"formula_full": "Ho1 Al8 Cr4",
"formula_reduced": "Ho(Al2Cr)4",
"formula_anonymous": "AB4C8",
"energy": -75.91972397,
"energy_per_atom": -5.839978766923077,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -75.91972397,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.2671366,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:32.841000Z",
"spacegroup": 139
},
{
"id": "mp-1016514",
"created_at": "2022-09-04T14:46:24.396233Z",
"structure_string": "Sr2 Mg12 C2\n1.0\n3.564098 0.000000 0.000000\n0.000000 6.216647 0.000000\n0.000000 0.000000 17.039766\nSr Mg C\n2 12 2\ndirect\n0.000000 0.500000 0.284237 Sr\n0.000000 0.000000 0.784237 Sr\n0.000000 0.282152 0.092067 Mg\n0.000000 0.717848 0.092067 Mg\n0.000000 0.000000 0.345584 Mg\n0.500000 0.752055 0.457850 Mg\n0.500000 0.247945 0.457850 Mg\n0.500000 0.000000 0.205465 Mg\n0.000000 0.782152 0.592067 Mg\n0.000000 0.217848 0.592067 Mg\n0.000000 0.500000 0.845584 Mg\n0.500000 0.252055 0.957850 Mg\n0.500000 0.747945 0.957850 Mg\n0.500000 0.500000 0.705465 Mg\n0.500000 0.500000 0.064879 C\n0.500000 0.000000 0.564879 C\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Sr",
"Mg",
"C"
],
"chemical_system": "C-Mg-Sr",
"density": 2.1591936306822004,
"density_atomic": 0.042378981161732894,
"volume": 377.54565025851963,
"volume_molar": 14.210206557390848,
"formula_full": "Sr2 Mg12 C2",
"formula_reduced": "SrMg6C",
"formula_anonymous": "ABC6",
"energy": -35.980606,
"energy_per_atom": -2.248787875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.980606,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020456,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:35.809000Z",
"spacegroup": 38
}
]
}