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=formation_energy&page=11518",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formation_energy&page=11516",
"results": [
{
"id": "mp-1016281",
"created_at": "2022-09-04T14:45:41.299577Z",
"structure_string": "Mg7 Mo1\n1.0\n3.108864 -5.384711 0.000000\n3.108864 5.384711 0.000000\n0.000000 0.000000 4.934128\nMg Mo\n7 1\ndirect\n0.834506 0.669011 0.000000 Mg\n0.834506 0.165494 0.000000 Mg\n0.330989 0.165494 0.000000 Mg\n0.648553 0.824276 0.500000 Mg\n0.175724 0.824276 0.500000 Mg\n0.175724 0.351447 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.333333 0.666667 0.000000 Mo\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"Mo"
],
"chemical_system": "Mg-Mo",
"density": 2.6745371678148233,
"density_atomic": 0.04842676477834791,
"volume": 165.19790319705353,
"volume_molar": 12.43556282886888,
"formula_full": "Mg7 Mo1",
"formula_reduced": "Mg7Mo",
"formula_anonymous": "AB7",
"energy": -20.3903698,
"energy_per_atom": -2.548796225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.3903698,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.5761632,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:15.093000Z",
"spacegroup": 187
},
{
"id": "mp-562610",
"created_at": "2022-09-04T14:45:40.981073Z",
"structure_string": "Sn4 O8\n1.0\n3.571475 0.000000 0.000000\n0.000000 5.305233 0.000000\n0.000000 0.000000 7.310330\nSn O\n4 8\ndirect\n0.250000 0.266376 0.916867 Sn\n0.750000 0.733624 0.083133 Sn\n0.750000 0.233624 0.416867 Sn\n0.250000 0.766376 0.583133 Sn\n0.750000 0.970370 0.632713 O\n0.750000 0.116149 0.114320 O\n0.250000 0.029630 0.367287 O\n0.250000 0.883851 0.885680 O\n0.250000 0.529630 0.132713 O\n0.250000 0.383851 0.614320 O\n0.750000 0.616149 0.385680 O\n0.750000 0.470370 0.867287 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Sn",
"O"
],
"chemical_system": "O-Sn",
"density": 7.227009766821625,
"density_atomic": 0.08663476208038595,
"volume": 138.51252905693374,
"volume_molar": 6.951182891703709,
"formula_full": "Sn4 O8",
"formula_reduced": "SnO2",
"formula_anonymous": "AB2",
"energy": -77.4747428,
"energy_per_atom": -6.456228566666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -71.9787428,
"band_gap": 0.4380999999999995,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004312,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:05.848000Z",
"spacegroup": 62
},
{
"id": "mp-22998",
"created_at": "2022-09-04T14:45:41.114081Z",
"structure_string": "Cr2 S2 Br2\n1.0\n3.553350 0.000000 0.000000\n0.000000 4.744935 0.000000\n0.000000 0.000000 8.760497\nCr S Br\n2 2 2\ndirect\n0.500000 0.000000 0.882382 Cr\n0.000000 0.500000 0.117618 Cr\n0.500000 0.500000 0.935321 S\n0.000000 0.000000 0.064679 S\n0.000000 0.000000 0.677322 Br\n0.500000 0.500000 0.322678 Br\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Cr",
"S",
"Br"
],
"chemical_system": "Br-Cr-S",
"density": 3.686663605536125,
"density_atomic": 0.04062134047119795,
"volume": 147.7056131186568,
"volume_molar": 14.82506655404423,
"formula_full": "Cr2 S2 Br2",
"formula_reduced": "CrSBr",
"formula_anonymous": "ABC",
"energy": -37.53834874,
"energy_per_atom": -6.256391456666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.46434874,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:12.838000Z",
"spacegroup": 59
},
{
"id": "mp-1342803",
"created_at": "2022-09-04T14:45:41.137755Z",
"structure_string": "Al4 W4 O14\n1.0\n6.700917 0.000000 0.000000\n2.964762 6.119409 0.000000\n2.941201 1.804758 5.884165\nAl W O\n4 4 14\ndirect\n0.500000 0.000000 0.500000 Al\n0.000000 0.000000 0.500000 Al\n0.500000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.000000 0.500000 0.000000 W\n0.500000 0.500000 0.000000 W\n0.000000 0.500000 0.500000 W\n0.000000 0.000000 0.000000 W\n0.368601 0.880009 0.360587 O\n0.631399 0.119991 0.639413 O\n0.625174 0.163850 0.073513 O\n0.981443 0.329217 0.335298 O\n0.174124 0.175270 0.002144 O\n0.100232 0.110792 0.657800 O\n0.664036 0.507805 0.183516 O\n0.649166 0.621977 0.614852 O\n0.018557 0.670783 0.664702 O\n0.335964 0.492195 0.816484 O\n0.899768 0.889208 0.342200 O\n0.374826 0.836150 0.926487 O\n0.350834 0.378023 0.385148 O\n0.825876 0.824730 0.997856 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Al",
"W",
"O"
],
"chemical_system": "Al-O-W",
"density": 7.345104735590984,
"density_atomic": 0.09117885178878662,
"volume": 241.2840211122905,
"volume_molar": 6.604756083077388,
"formula_full": "Al4 W4 O14",
"formula_reduced": "Al2W2O7",
"formula_anonymous": "A2B2C7",
"energy": -185.09950645000004,
"energy_per_atom": -8.413613929545456,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -157.72950645,
"band_gap": 1.8039,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0000765,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:16.368000Z",
"spacegroup": 2
},
{
"id": "mp-979986",
"created_at": "2022-09-04T14:45:41.149933Z",
"structure_string": "Ba1 Ca1 Yb2\n1.0\n0.000000 4.492261 4.492261\n4.492261 0.000000 4.492261\n4.492261 4.492261 0.000000\nBa Ca Yb\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Ca\n0.250000 0.250000 0.250000 Yb\n0.750000 0.750000 0.750000 Yb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"Yb"
],
"chemical_system": "Ba-Ca-Yb",
"density": 4.794335271252021,
"density_atomic": 0.022061500798754536,
"volume": 181.31132766025675,
"volume_molar": 27.29705841381369,
"formula_full": "Ba1 Ca1 Yb2",
"formula_reduced": "BaCaYb2",
"formula_anonymous": "ABC2",
"energy": -6.85324758,
"energy_per_atom": -1.713311895,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.85324758,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0023056,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:18.334000Z",
"spacegroup": 225
},
{
"id": "mp-768408",
"created_at": "2022-09-04T14:45:41.151746Z",
"structure_string": "Li24 Ti5 Cr7 O36\n1.0\n5.050556 0.000000 0.000000\n0.790480 9.763388 0.000000\n2.505229 1.953635 13.028404\nLi Ti Cr O\n24 5 7 36\ndirect\n0.670628 0.000552 0.167100 Li\n0.561838 0.000993 0.384158 Li\n0.248038 0.748775 0.750728 Li\n0.584283 0.750324 0.081489 Li\n0.064309 0.498520 0.888040 Li\n0.401791 0.498883 0.222205 Li\n0.160972 0.498224 0.667177 Li\n0.497999 0.501835 0.001406 Li\n0.264465 0.500747 0.443813 Li\n0.082214 0.250238 0.583476 Li\n0.994889 0.000339 0.500918 Li\n0.768624 0.000240 0.946819 Li\n0.105241 0.998529 0.282090 Li\n0.901189 0.001004 0.718932 Li\n0.230270 0.000147 0.051138 Li\n0.915745 0.750946 0.417078 Li\n0.737319 0.501139 0.554808 Li\n0.833845 0.500615 0.333854 Li\n0.604534 0.501952 0.778895 Li\n0.931176 0.499991 0.110654 Li\n0.416882 0.250584 0.917017 Li\n0.331476 0.999705 0.834415 Li\n0.748527 0.250052 0.248470 Li\n0.436237 0.998942 0.613239 Li\n0.357866 0.755033 0.525886 Ti\n0.309058 0.247002 0.139992 Ti\n0.030105 0.746866 0.192953 Ti\n0.531149 0.246978 0.695191 Ti\n0.632964 0.254796 0.471913 Ti\n0.860114 0.253023 0.025619 Cr\n0.475428 0.750193 0.305463 Cr\n0.976502 0.248523 0.808060 Cr\n0.189266 0.249496 0.360002 Cr\n0.699040 0.748414 0.864189 Cr\n0.798049 0.750292 0.641270 Cr\n0.142006 0.749502 0.969769 Cr\n0.933437 0.862455 0.069142 O\n0.716826 0.633761 0.213925 O\n0.428455 0.365219 0.571376 O\n0.497530 0.361685 0.354909 O\n0.615721 0.366806 0.118458 O\n0.257275 0.863940 0.404419 O\n0.217492 0.133015 0.715134 O\n0.330257 0.138692 0.475363 O\n0.555753 0.134251 0.047344 O\n0.004217 0.861803 0.859535 O\n0.115971 0.864220 0.619503 O\n0.339149 0.861286 0.190644 O\n0.409908 0.135309 0.261030 O\n0.829860 0.637195 0.975150 O\n0.044357 0.635563 0.550490 O\n0.169434 0.637600 0.310872 O\n0.900643 0.638202 0.765857 O\n0.238195 0.636569 0.094065 O\n0.757584 0.360369 0.908335 O\n0.094938 0.361594 0.241043 O\n0.835092 0.361799 0.692588 O\n0.948975 0.366486 0.452801 O\n0.162733 0.362128 0.022579 O\n0.598845 0.860533 0.735846 O\n0.669134 0.137366 0.811847 O\n0.889365 0.136070 0.380385 O\n0.998443 0.137455 0.141361 O\n0.458946 0.864772 0.948102 O\n0.664435 0.864308 0.522228 O\n0.779936 0.864407 0.285357 O\n0.736467 0.136044 0.595863 O\n0.375075 0.636911 0.883993 O\n0.507463 0.636949 0.644433 O\n0.571663 0.638122 0.425630 O\n0.276915 0.364842 0.786618 O\n0.075472 0.138877 0.925550 O\n",
"nsites": 72,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Cr",
"O"
],
"chemical_system": "Cr-Li-O-Ti",
"density": 3.4787345107143057,
"density_atomic": 0.11207313994233388,
"volume": 642.4376084853774,
"volume_molar": 5.373402371967656,
"formula_full": "Li24 Ti5 Cr7 O36",
"formula_reduced": "Li24Ti5Cr7O36",
"formula_anonymous": "A5B7C24D36",
"energy": -514.04290158,
"energy_per_atom": -7.139484744166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -475.31790158,
"band_gap": 1.1906,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.9997052,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:14.360000Z",
"spacegroup": 1
},
{
"id": "mp-1245967",
"created_at": "2022-09-04T14:45:41.156691Z",
"structure_string": "Zn6 W2 N8\n1.0\n6.585372 0.000000 0.000000\n0.000000 5.699635 0.000000\n0.000000 0.000000 5.378179\nZn W N\n6 2 8\ndirect\n0.251386 0.832227 0.730629 Zn\n0.248614 0.167773 0.230629 Zn\n0.748614 0.832227 0.730629 Zn\n0.751386 0.167773 0.230629 Zn\n0.000000 0.333526 0.729708 Zn\n0.500000 0.666474 0.229708 Zn\n0.000000 0.670217 0.229376 W\n0.500000 0.329783 0.729376 W\n0.763656 0.826473 0.113571 N\n0.736344 0.173527 0.613571 N\n0.236344 0.826473 0.113571 N\n0.263656 0.173527 0.613571 N\n0.000000 0.357467 0.113113 N\n0.500000 0.642533 0.613113 N\n0.000000 0.671284 0.578663 N\n0.500000 0.328716 0.078663 N\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Zn",
"W",
"N"
],
"chemical_system": "N-W-Zn",
"density": 7.174578559595137,
"density_atomic": 0.07926060309867491,
"volume": 201.86573624832144,
"volume_molar": 7.597899239427663,
"formula_full": "Zn6 W2 N8",
"formula_reduced": "Zn3WN4",
"formula_anonymous": "AB3C4",
"energy": -107.07005677,
"energy_per_atom": -6.691878548125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -104.18205677,
"band_gap": 2.4933,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004131,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:15.985000Z",
"spacegroup": 31
},
{
"id": "mp-1216985",
"created_at": "2022-09-04T14:45:41.165128Z",
"structure_string": "Tm2 Mn12 Ga1 Ge11\n1.0\n-2.586710 -4.480312 0.000600\n-2.589395 4.481863 -0.000300\n0.000938 0.001624 -16.252238\nTm Mn Ga Ge\n2 12 1 11\ndirect\n0.999968 0.000000 0.000711 Tm\n0.000009 0.000000 0.499938 Tm\n0.999982 0.499993 0.124150 Mn\n0.000003 0.499989 0.625145 Mn\n0.499982 0.000000 0.124152 Mn\n0.500009 0.000000 0.625179 Mn\n0.499989 0.500007 0.124150 Mn\n0.500015 0.500011 0.625145 Mn\n0.999975 0.499987 0.375510 Mn\n0.000004 0.499990 0.874818 Mn\n0.499984 0.000000 0.375519 Mn\n0.499998 0.000000 0.874770 Mn\n0.499988 0.500013 0.375510 Mn\n0.500014 0.500010 0.874818 Mn\n0.999996 0.000000 0.172638 Ga\n0.333276 0.666647 0.500071 Ge\n0.333303 0.666640 0.000441 Ge\n0.666663 0.333360 0.000441 Ge\n0.666629 0.333353 0.500071 Ge\n0.333268 0.666612 0.248836 Ge\n0.333288 0.666615 0.750029 Ge\n0.666656 0.333388 0.248836 Ge\n0.666673 0.333385 0.750029 Ge\n0.999959 0.000000 0.671774 Ge\n0.999977 0.000000 0.328823 Ge\n0.999994 0.000000 0.828497 Ge\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Tm",
"Mn",
"Ga",
"Ge"
],
"chemical_system": "Ga-Ge-Mn-Tm",
"density": 8.219303726315646,
"density_atomic": 0.06897214258033149,
"volume": 376.9637860635972,
"volume_molar": 8.731265311913493,
"formula_full": "Tm2 Mn12 Ga1 Ge11",
"formula_reduced": "Tm2Mn12GaGe11",
"formula_anonymous": "AB2C11D12",
"energy": -180.95982711,
"energy_per_atom": -6.959993350384615,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -180.95982711,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 22.4382262,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:14.073000Z",
"spacegroup": 183
},
{
"id": "mp-1221416",
"created_at": "2022-09-04T14:45:41.166612Z",
"structure_string": "Na1 Nb6 Se8\n1.0\n5.049957 -8.746783 0.000000\n5.049957 8.746783 0.000000\n0.000000 0.000000 3.528214\nNa Nb Se\n1 6 8\ndirect\n0.000000 0.000000 0.500000 Na\n0.106055 0.618470 0.250240 Nb\n0.512415 0.893945 0.250240 Nb\n0.381530 0.487585 0.250240 Nb\n0.893945 0.381530 0.749760 Nb\n0.487585 0.106055 0.749760 Nb\n0.618470 0.512415 0.749760 Nb\n0.278586 0.940880 0.249314 Se\n0.662294 0.721414 0.249314 Se\n0.059120 0.337706 0.249314 Se\n0.721414 0.059120 0.750686 Se\n0.337706 0.278586 0.750686 Se\n0.940880 0.662294 0.750686 Se\n0.666667 0.333333 0.250018 Se\n0.333333 0.666667 0.749982 Se\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Na",
"Nb",
"Se"
],
"chemical_system": "Na-Nb-Se",
"density": 6.4575754002870065,
"density_atomic": 0.04812495230773447,
"volume": 311.688620574264,
"volume_molar": 12.513551642589666,
"formula_full": "Na1 Nb6 Se8",
"formula_reduced": "Na(Nb3Se4)2",
"formula_anonymous": "AB6C8",
"energy": -106.57776942,
"energy_per_atom": -7.105184628,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -102.80176942,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0035207,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:15.420000Z",
"spacegroup": 147
},
{
"id": "mp-1431426",
"created_at": "2022-09-04T14:45:41.189806Z",
"structure_string": "Yb2 In8 Ni2\n1.0\n2.226996 -8.241627 0.000000\n2.226996 8.241627 0.000000\n0.000000 0.000000 7.404755\nYb In Ni\n2 8 2\ndirect\n0.130156 0.869844 0.250000 Yb\n0.869844 0.130156 0.750000 Yb\n0.932674 0.067326 0.250000 In\n0.317142 0.682858 0.048237 In\n0.073637 0.926363 0.750000 In\n0.317142 0.682858 0.451763 In\n0.689951 0.310049 0.952549 In\n0.503623 0.496377 0.500927 In\n0.503623 0.496377 0.999073 In\n0.689951 0.310049 0.547451 In\n0.775027 0.224973 0.250000 Ni\n0.231398 0.768602 0.750000 Ni\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Yb",
"In",
"Ni"
],
"chemical_system": "In-Ni-Yb",
"density": 8.442818493807254,
"density_atomic": 0.04414770830885751,
"volume": 271.81478857402885,
"volume_molar": 13.640890978687013,
"formula_full": "Yb2 In8 Ni2",
"formula_reduced": "YbIn4Ni",
"formula_anonymous": "ABC4",
"energy": -40.31687115,
"energy_per_atom": -3.3597392624999998,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.31687115,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003127,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:17.717000Z",
"spacegroup": 38
},
{
"id": "mp-20488",
"created_at": "2022-09-04T14:45:41.205392Z",
"structure_string": "Cr4 F16\n1.0\n8.624364 0.000000 0.000000\n0.000000 8.624364 0.000000\n0.000000 0.000000 3.863609\nCr F\n4 16\ndirect\n0.630184 0.369816 0.500000 Cr\n0.369816 0.630184 0.500000 Cr\n0.130184 0.130184 0.000000 Cr\n0.869816 0.869816 0.000000 Cr\n0.596432 0.596432 0.500000 F\n0.403568 0.403568 0.500000 F\n0.096432 0.903568 0.000000 F\n0.903568 0.096432 0.000000 F\n0.876411 0.876411 0.500000 F\n0.123589 0.123589 0.500000 F\n0.376411 0.623589 0.000000 F\n0.623589 0.376411 0.000000 F\n0.605982 0.169811 0.500000 F\n0.394018 0.830189 0.500000 F\n0.105982 0.330189 0.000000 F\n0.894018 0.669811 0.000000 F\n0.169811 0.605982 0.500000 F\n0.830189 0.394018 0.500000 F\n0.330189 0.105982 0.000000 F\n0.669811 0.894018 0.000000 F\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Cr",
"F"
],
"chemical_system": "Cr-F",
"density": 2.9582633164587837,
"density_atomic": 0.06959574216270814,
"volume": 287.37390217410035,
"volume_molar": 8.653030448214512,
"formula_full": "Cr4 F16",
"formula_reduced": "CrF4",
"formula_anonymous": "AB4",
"energy": -121.24645237,
"energy_per_atom": -6.0623226185,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -105.85845237,
"band_gap": 1.0142,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 8.0041618,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:17.776000Z",
"spacegroup": 136
},
{
"id": "mp-1236165",
"created_at": "2022-09-04T14:45:41.208301Z",
"structure_string": "Li1 Ti1 Fe1 O4\n1.0\n5.432404 0.081736 0.043617\n2.450979 4.848758 -0.043624\n-3.918563 -2.502232 2.811292\nLi Ti Fe O\n1 1 1 4\ndirect\n0.307744 0.807744 0.500000 Li\n0.749185 0.249185 0.500000 Ti\n0.009422 0.009422 0.000000 Fe\n0.538734 0.038734 0.500000 O\n0.228139 0.228139 0.000000 O\n0.956509 0.456509 0.500000 O\n0.781697 0.781697 0.000000 O\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Fe",
"O"
],
"chemical_system": "Fe-Li-O-Ti",
"density": 3.947402730929476,
"density_atomic": 0.09527748787119265,
"volume": 73.46961130485961,
"volume_molar": 6.320633440862171,
"formula_full": "Li1 Ti1 Fe1 O4",
"formula_reduced": "LiTiFeO4",
"formula_anonymous": "ABCD4",
"energy": -55.87167716,
"energy_per_atom": -7.981668165714285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -50.86767716,
"band_gap": 1.0421,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.9999539,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:17.201000Z",
"spacegroup": 44
}
]
}