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=-energy_above_hull&page=104",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_above_hull&page=102",
"results": [
{
"id": "mp-1192255",
"created_at": "2022-09-04T14:48:11.244675Z",
"structure_string": "Sm2 Mn3 Sb4 S12\n1.0\n1.934496 9.984469 0.000000\n-1.934496 9.984469 0.000000\n0.000000 8.860157 11.968991\nSm Mn Sb S\n2 3 4 12\ndirect\n0.240805 0.240805 0.862710 Sm\n0.759195 0.759195 0.137290 Sm\n0.198449 0.198449 0.621823 Mn\n0.801551 0.801551 0.378177 Mn\n0.000000 0.000000 0.000000 Mn\n0.106610 0.106610 0.451710 Sb\n0.893390 0.893390 0.548290 Sb\n0.459207 0.459207 0.816266 Sb\n0.540793 0.540793 0.183734 Sb\n0.057299 0.057299 0.802421 S\n0.942701 0.942701 0.197579 S\n0.601982 0.601982 0.976738 S\n0.398018 0.398018 0.023262 S\n0.829556 0.829556 0.897979 S\n0.170444 0.170444 0.102021 S\n0.409751 0.409751 0.652681 S\n0.590249 0.590249 0.347319 S\n0.257728 0.257728 0.290306 S\n0.742272 0.742272 0.709694 S\n0.341697 0.341697 0.453799 S\n0.658303 0.658303 0.546201 S\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Sm",
"Mn",
"Sb",
"S"
],
"chemical_system": "Mn-S-Sb-Sm",
"density": 4.803028650620211,
"density_atomic": 0.04541914449497798,
"volume": 462.3600958032572,
"volume_molar": 13.259036089210952,
"formula_full": "Sm2 Mn3 Sb4 S12",
"formula_reduced": "Sm2Mn3(SbS3)4",
"formula_anonymous": "A2B3C4D12",
"energy": -125.07316701,
"energy_per_atom": -5.955865095714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -119.03716701,
"band_gap": 0.1398000000000001,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 15.0027285,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:39.580000Z",
"spacegroup": 12
},
{
"id": "mp-766302",
"created_at": "2022-09-04T14:48:11.246117Z",
"structure_string": "Ba5 Nb5 O14\n1.0\n4.140743 0.000000 0.000000\n0.000000 9.298456 0.000000\n0.000000 0.021688 9.314724\nBa Nb O\n5 5 14\ndirect\n0.500000 0.900700 0.299449 Ba\n0.500000 0.099300 0.700551 Ba\n0.500000 0.500000 0.500000 Ba\n0.500000 0.699173 0.900306 Ba\n0.500000 0.300827 0.099694 Ba\n0.000000 0.800452 0.600149 Nb\n0.000000 0.600768 0.201528 Nb\n0.000000 0.000000 0.000000 Nb\n0.000000 0.199548 0.399851 Nb\n0.000000 0.399232 0.798472 Nb\n0.500000 0.597781 0.195853 O\n0.500000 0.800032 0.600266 O\n0.500000 0.000000 0.000000 O\n0.500000 0.402219 0.804147 O\n0.500000 0.199968 0.399734 O\n0.000000 0.599895 0.703143 O\n0.000000 0.699568 0.402305 O\n0.000000 0.797495 0.097920 O\n0.000000 0.096331 0.200893 O\n0.000000 0.903669 0.799107 O\n0.000000 0.000000 0.500000 O\n0.000000 0.202505 0.902080 O\n0.000000 0.400105 0.296857 O\n0.000000 0.300432 0.597695 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ba",
"Nb",
"O"
],
"chemical_system": "Ba-Nb-O",
"density": 6.367115781943273,
"density_atomic": 0.0669194147217164,
"volume": 358.64031536742687,
"volume_molar": 8.99909358897265,
"formula_full": "Ba5 Nb5 O14",
"formula_reduced": "Ba5Nb5O14",
"formula_anonymous": "A5B5C14",
"energy": -202.20124219,
"energy_per_atom": -8.425051757916666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -192.58324219,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0052654,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:29.110000Z",
"spacegroup": 10
},
{
"id": "mp-1193830",
"created_at": "2022-09-04T14:48:11.255937Z",
"structure_string": "Er2 Ni21 B6\n1.0\n0.000000 5.319186 5.319186\n5.319186 0.000000 5.319186\n5.319186 5.319186 0.000000\nEr Ni B\n2 21 6\ndirect\n0.750000 0.750000 0.750000 Er\n0.250000 0.250000 0.250000 Er\n0.000000 0.000000 0.000000 Ni\n0.612389 0.612389 0.162834 Ni\n0.612389 0.162834 0.612389 Ni\n0.162834 0.612389 0.612389 Ni\n0.612389 0.612389 0.612389 Ni\n0.387611 0.387611 0.837166 Ni\n0.387611 0.837166 0.387611 Ni\n0.837166 0.387611 0.387611 Ni\n0.387611 0.387611 0.387611 Ni\n0.000000 0.000000 0.336749 Ni\n0.663251 0.000000 0.336749 Ni\n0.000000 0.663251 0.336749 Ni\n0.663251 0.336749 0.000000 Ni\n0.000000 0.336749 0.000000 Ni\n0.000000 0.336749 0.663251 Ni\n0.336749 0.663251 0.000000 Ni\n0.336749 0.000000 0.663251 Ni\n0.336749 0.000000 0.000000 Ni\n0.000000 0.000000 0.663251 Ni\n0.000000 0.663251 0.000000 Ni\n0.663251 0.000000 0.000000 Ni\n0.729807 0.729807 0.270193 B\n0.270193 0.729807 0.270193 B\n0.729807 0.270193 0.270193 B\n0.270193 0.270193 0.729807 B\n0.729807 0.270193 0.729807 B\n0.270193 0.729807 0.729807 B\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Er",
"Ni",
"B"
],
"chemical_system": "B-Er-Ni",
"density": 9.003040329747849,
"density_atomic": 0.09634572997482693,
"volume": 300.99932822738566,
"volume_molar": 6.250552838795717,
"formula_full": "Er2 Ni21 B6",
"formula_reduced": "Er2(Ni7B2)3",
"formula_anonymous": "A2B6C21",
"energy": -180.78099497,
"energy_per_atom": -6.233827412758621,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -180.78099497,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.1628242,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:31.618000Z",
"spacegroup": 225
},
{
"id": "mp-1103872",
"created_at": "2022-09-04T14:48:11.262569Z",
"structure_string": "Ho2 Ga12\n1.0\n6.024667 0.000000 0.000000\n0.000000 6.024667 0.000000\n0.000000 0.000000 7.586315\nHo Ga\n2 12\ndirect\n0.500000 0.000000 0.000000 Ho\n0.000000 0.500000 0.000000 Ho\n0.500000 0.500000 0.161748 Ga\n0.000000 0.000000 0.161748 Ga\n0.000000 0.000000 0.838252 Ga\n0.500000 0.500000 0.838252 Ga\n0.814403 0.685597 0.349674 Ga\n0.314403 0.814403 0.349674 Ga\n0.685597 0.185597 0.349674 Ga\n0.185597 0.314403 0.349674 Ga\n0.685597 0.814403 0.650326 Ga\n0.185597 0.685597 0.650326 Ga\n0.814403 0.314403 0.650326 Ga\n0.314403 0.185597 0.650326 Ga\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Ho",
"Ga"
],
"chemical_system": "Ga-Ho",
"density": 7.034779924915351,
"density_atomic": 0.0508429884494188,
"volume": 275.35753556122916,
"volume_molar": 11.844584560545911,
"formula_full": "Ho2 Ga12",
"formula_reduced": "HoGa6",
"formula_anonymous": "AB6",
"energy": -49.61248927,
"energy_per_atom": -3.5437492335714285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -49.61248927,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001743,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:26.817000Z",
"spacegroup": 125
},
{
"id": "mp-18987",
"created_at": "2022-09-04T14:48:11.271417Z",
"structure_string": "Li2 Mo2 P4 O14\n1.0\n8.597438 0.000000 0.000000\n0.000000 5.005219 0.000000\n0.000000 2.292595 6.767646\nLi Mo P O\n2 2 4 14\ndirect\n0.144249 0.685451 0.332769 Li\n0.644249 0.314549 0.667231 Li\n0.998478 0.290856 0.724966 Mo\n0.498478 0.709144 0.275034 Mo\n0.211757 0.715785 0.919041 P\n0.711757 0.284215 0.080959 P\n0.319982 0.097321 0.533733 P\n0.819982 0.902679 0.466267 P\n0.961958 0.706383 0.503154 O\n0.838192 0.091007 0.237578 O\n0.166283 0.262266 0.508962 O\n0.666283 0.737734 0.491038 O\n0.461958 0.293617 0.496846 O\n0.338192 0.908993 0.762422 O\n0.677845 0.543152 0.140312 O\n0.177845 0.456848 0.859688 O\n0.318887 0.899100 0.408859 O\n0.066572 0.891547 0.921304 O\n0.295697 0.641417 0.118393 O\n0.795697 0.358583 0.881607 O\n0.566572 0.108453 0.078696 O\n0.818887 0.100900 0.591141 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Mo",
"P",
"O"
],
"chemical_system": "Li-Mo-O-P",
"density": 3.156847265611529,
"density_atomic": 0.07554277079240289,
"volume": 291.2257489264939,
"volume_molar": 7.971829331689842,
"formula_full": "Li2 Mo2 P4 O14",
"formula_reduced": "LiMoP2O7",
"formula_anonymous": "ABC2D7",
"energy": -173.26462293,
"energy_per_atom": -7.8756646786363635,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -157.24262293,
"band_gap": 1.5360999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.00051,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:25.726000Z",
"spacegroup": 4
},
{
"id": "mp-1009582",
"created_at": "2022-09-04T14:48:11.283222Z",
"structure_string": "Ni1 C1\n1.0\n0.000000 2.033463 2.033463\n2.033463 0.000000 2.033463\n2.033463 2.033463 0.000000\nNi C\n1 1\ndirect\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ni",
"C"
],
"chemical_system": "C-Ni",
"density": 6.981598610426691,
"density_atomic": 0.11892993355785453,
"volume": 16.816624210313563,
"volume_molar": 5.063603905126606,
"formula_full": "Ni1 C1",
"formula_reduced": "NiC",
"formula_anonymous": "AB",
"energy": -12.82787389,
"energy_per_atom": -6.413936945,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.82787389,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010152,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:30.281000Z",
"spacegroup": 225
},
{
"id": "mp-1079037",
"created_at": "2022-09-04T14:48:11.288577Z",
"structure_string": "La2 Si4 Ni2\n1.0\n2.119519 -8.307389 0.000000\n2.119519 8.307389 0.000000\n0.000000 0.000000 4.101525\nLa Si Ni\n2 4 2\ndirect\n0.892351 0.107649 0.750000 La\n0.107649 0.892351 0.250000 La\n0.541056 0.458944 0.750000 Si\n0.458944 0.541056 0.250000 Si\n0.249861 0.750139 0.750000 Si\n0.750139 0.249861 0.250000 Si\n0.682077 0.317923 0.750000 Ni\n0.317923 0.682077 0.250000 Ni\n",
"nsites": 8,
"nelements": 3,
"elements": [
"La",
"Si",
"Ni"
],
"chemical_system": "La-Ni-Si",
"density": 5.835014376754914,
"density_atomic": 0.05538762805148641,
"volume": 144.43658776222514,
"volume_molar": 10.872718279977667,
"formula_full": "La2 Si4 Ni2",
"formula_reduced": "LaSi2Ni",
"formula_anonymous": "ABC2",
"energy": -49.67709143,
"energy_per_atom": -6.20963642875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -49.67709143,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.28e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:24.412000Z",
"spacegroup": 63
},
{
"id": "mp-20296",
"created_at": "2022-09-04T14:48:11.291456Z",
"structure_string": "In8 Co4\n1.0\n0.000000 4.751900 8.943338\n2.628897 0.000000 8.943338\n2.628897 4.751900 0.000000\nIn Co\n8 4\ndirect\n0.091008 0.408992 0.091008 In\n0.408992 0.091008 0.408992 In\n0.158992 0.841008 0.158992 In\n0.841008 0.158992 0.841008 In\n0.839273 0.839273 0.660727 In\n0.660727 0.660727 0.839273 In\n0.410727 0.410727 0.589273 In\n0.589273 0.589273 0.410727 In\n0.378342 0.378342 0.121658 Co\n0.121658 0.121658 0.378342 Co\n0.871658 0.871658 0.128342 Co\n0.128342 0.128342 0.871658 Co\n",
"nsites": 12,
"nelements": 2,
"elements": [
"In",
"Co"
],
"chemical_system": "Co-In",
"density": 8.57804959828981,
"density_atomic": 0.05370450800718491,
"volume": 223.4449293976321,
"volume_molar": 11.213473474506689,
"formula_full": "In8 Co4",
"formula_reduced": "In2Co",
"formula_anonymous": "AB2",
"energy": -50.05499197,
"energy_per_atom": -4.171249330833334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -50.05499197,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011876,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:30.584000Z",
"spacegroup": 70
},
{
"id": "mp-1212329",
"created_at": "2022-09-04T14:48:11.292782Z",
"structure_string": "Ho16 Mg4 Ge16\n1.0\n7.212197 0.000000 0.000000\n0.000000 7.760028 0.000000\n0.000000 0.000000 14.544277\nHo Mg Ge\n16 4 16\ndirect\n0.009988 0.182714 0.094755 Ho\n0.990012 0.817286 0.905245 Ho\n0.490012 0.682714 0.905245 Ho\n0.990012 0.817286 0.594755 Ho\n0.509988 0.317286 0.094755 Ho\n0.009988 0.182714 0.405245 Ho\n0.509988 0.317286 0.405245 Ho\n0.490012 0.682714 0.594755 Ho\n0.330920 0.177594 0.626910 Ho\n0.669080 0.822406 0.373090 Ho\n0.169080 0.677594 0.373090 Ho\n0.669080 0.822406 0.126910 Ho\n0.830920 0.322406 0.626910 Ho\n0.330920 0.177594 0.873090 Ho\n0.830920 0.322406 0.873090 Ho\n0.169080 0.677594 0.126910 Ho\n0.160481 0.517444 0.750000 Mg\n0.839519 0.482556 0.250000 Mg\n0.339519 0.017444 0.250000 Mg\n0.660481 0.982556 0.750000 Mg\n0.024252 0.089681 0.750000 Ge\n0.975748 0.910319 0.250000 Ge\n0.475748 0.589681 0.250000 Ge\n0.524252 0.410319 0.750000 Ge\n0.288472 0.861554 0.750000 Ge\n0.711528 0.138446 0.250000 Ge\n0.211528 0.361554 0.250000 Ge\n0.788472 0.638446 0.750000 Ge\n0.171240 0.466001 0.535966 Ge\n0.828760 0.533999 0.464034 Ge\n0.328760 0.966001 0.464034 Ge\n0.828760 0.533999 0.035966 Ge\n0.671240 0.033999 0.535966 Ge\n0.171240 0.466001 0.964034 Ge\n0.671240 0.033999 0.964034 Ge\n0.328760 0.966001 0.035966 Ge\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Ho",
"Mg",
"Ge"
],
"chemical_system": "Ge-Ho-Mg",
"density": 7.952549400201492,
"density_atomic": 0.0442261866387812,
"volume": 813.9973788387218,
"volume_molar": 13.616685537882855,
"formula_full": "Ho16 Mg4 Ge16",
"formula_reduced": "Ho4MgGe4",
"formula_anonymous": "AB4C4",
"energy": -182.54810664,
"energy_per_atom": -5.07078074,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -182.54810664,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0017814,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:30.859000Z",
"spacegroup": 62
},
{
"id": "mp-1186512",
"created_at": "2022-09-04T14:48:11.296050Z",
"structure_string": "Pm3 Hg1\n1.0\n-2.394514 2.394514 5.156629\n2.394514 -2.394514 5.156629\n2.394514 2.394514 -5.156629\nPm Hg\n3 1\ndirect\n0.750000 0.250000 0.500000 Pm\n0.250000 0.750000 0.500000 Pm\n0.500000 0.500000 0.000000 Pm\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pm",
"Hg"
],
"chemical_system": "Hg-Pm",
"density": 8.924122311307686,
"density_atomic": 0.03382200521513782,
"volume": 118.26619901914353,
"volume_molar": 17.805392441086408,
"formula_full": "Pm3 Hg1",
"formula_reduced": "Pm3Hg",
"formula_anonymous": "AB3",
"energy": -15.16206295,
"energy_per_atom": -3.7905157375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.16206295,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015025,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:33.081000Z",
"spacegroup": 139
},
{
"id": "mp-867779",
"created_at": "2022-09-04T14:48:17.867073Z",
"structure_string": "Ta2 Cr1 Fe1\n1.0\n0.000000 3.074312 3.074312\n3.074312 0.000000 3.074312\n3.074312 3.074312 0.000000\nTa Cr Fe\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ta\n0.750000 0.750000 0.750000 Ta\n0.500000 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 Fe\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Cr",
"Fe"
],
"chemical_system": "Cr-Fe-Ta",
"density": 13.422392098394761,
"density_atomic": 0.06883133214657984,
"volume": 58.11306966254548,
"volume_molar": 8.749127137588365,
"formula_full": "Ta2 Cr1 Fe1",
"formula_reduced": "Ta2CrFe",
"formula_anonymous": "ABC2",
"energy": -42.36004898,
"energy_per_atom": -10.590012245,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.36004898,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.3e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:51.107000Z",
"spacegroup": 225
},
{
"id": "mp-1247582",
"created_at": "2022-09-04T14:48:07.430805Z",
"structure_string": "Sr1 Ca7 Ti3 Mn5 O21\n1.0\n7.930131 -0.034641 0.054316\n-0.033893 7.818560 -0.039260\n0.052060 -0.039612 7.796618\nSr Ca Ti Mn O\n1 7 3 5 21\ndirect\n0.244861 0.267135 0.250944 Sr\n0.266433 0.299203 0.724675 Ca\n0.220013 0.726539 0.278005 Ca\n0.242977 0.704773 0.741483 Ca\n0.773016 0.264964 0.280230 Ca\n0.707266 0.279509 0.744517 Ca\n0.730581 0.742062 0.259326 Ca\n0.739196 0.731872 0.732325 Ca\n0.028051 0.983478 0.985606 Ti\n0.001636 0.997961 0.521763 Ti\n0.495151 0.990495 0.985331 Ti\n0.986043 0.503935 0.021717 Mn\n0.994623 0.499481 0.514923 Mn\n0.509803 0.002188 0.467139 Mn\n0.493083 0.503503 0.994892 Mn\n0.499701 0.508152 0.493479 Mn\n0.967226 0.975051 0.762571 O\n0.006161 0.485948 0.267188 O\n0.993034 0.516468 0.770020 O\n0.581270 0.050002 0.189919 O\n0.592585 0.991840 0.766782 O\n0.496685 0.541242 0.744975 O\n0.257503 0.954710 0.977601 O\n0.221487 0.003813 0.419784 O\n0.244564 0.534752 0.015111 O\n0.257836 0.493919 0.499380 O\n0.794370 0.985679 0.429557 O\n0.732174 0.459686 0.035652 O\n0.739302 0.516566 0.489885 O\n0.984204 0.188911 0.079684 O\n0.994275 0.247458 0.535679 O\n0.955703 0.790419 0.085554 O\n0.022956 0.746577 0.515298 O\n0.450537 0.258185 0.951872 O\n0.506643 0.259801 0.508336 O\n0.535101 0.749082 0.025523 O\n0.483953 0.744642 0.433274 O\n",
"nsites": 37,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Ti",
"Mn",
"O"
],
"chemical_system": "Ca-Mn-O-Sr-Ti",
"density": 3.856023477612719,
"density_atomic": 0.07654685843149851,
"volume": 483.36405645061393,
"volume_molar": 7.867260503432926,
"formula_full": "Sr1 Ca7 Ti3 Mn5 O21",
"formula_reduced": "SrCa7Ti3Mn5O21",
"formula_anonymous": "AB3C5D7E21",
"energy": -296.42190291,
"energy_per_atom": -8.01140278135135,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -273.65490291,
"band_gap": 0.0750000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 21.0008656,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:30.190000Z",
"spacegroup": 1
}
]
}