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=12132",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formation_energy&page=12130",
"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-766130",
"created_at": "2022-09-04T14:48:11.298674Z",
"structure_string": "Li8 Mn2 Fe6 P8 O32\n1.0\n4.762725 0.000000 0.000000\n0.000000 10.480765 0.000000\n0.000000 0.000000 12.217463\nLi Mn Fe P O\n8 2 6 8 32\ndirect\n0.749811 0.000416 0.374854 Li\n0.749811 0.000416 0.625146 Li\n0.750336 0.999744 0.874538 Li\n0.750336 0.999744 0.125462 Li\n0.250189 0.500416 0.874854 Li\n0.249664 0.499744 0.374538 Li\n0.249664 0.499744 0.625462 Li\n0.250189 0.500416 0.125146 Li\n0.773115 0.718509 0.500000 Mn\n0.226885 0.218509 0.000000 Mn\n0.775952 0.718395 0.000000 Fe\n0.224048 0.218395 0.500000 Fe\n0.275322 0.781585 0.249601 Fe\n0.275322 0.781585 0.750399 Fe\n0.724678 0.281585 0.749601 Fe\n0.724678 0.281585 0.250399 Fe\n0.834057 0.594271 0.249228 P\n0.834057 0.594271 0.750772 P\n0.165943 0.094271 0.250772 P\n0.165943 0.094271 0.749228 P\n0.332065 0.907312 0.500000 P\n0.333680 0.904677 0.000000 P\n0.667935 0.407312 0.000000 P\n0.666320 0.404677 0.500000 P\n0.956849 0.456304 0.249380 O\n0.956849 0.456304 0.750620 O\n0.971506 0.664170 0.650428 O\n0.966205 0.664494 0.852526 O\n0.966205 0.664494 0.147474 O\n0.971506 0.664170 0.349572 O\n0.991383 0.404843 0.000000 O\n0.989645 0.403284 0.500000 O\n0.010355 0.903284 0.000000 O\n0.008617 0.904843 0.500000 O\n0.033795 0.164494 0.647474 O\n0.028494 0.164170 0.849572 O\n0.033795 0.164494 0.352526 O\n0.028494 0.164170 0.150428 O\n0.043151 0.956304 0.749380 O\n0.043151 0.956304 0.250620 O\n0.459577 0.041713 0.000000 O\n0.458275 0.044036 0.500000 O\n0.466228 0.834308 0.898521 O\n0.466228 0.834308 0.101479 O\n0.462804 0.836294 0.398518 O\n0.462804 0.836294 0.601482 O\n0.489068 0.097031 0.249899 O\n0.489068 0.097031 0.750101 O\n0.510932 0.597031 0.749899 O\n0.510932 0.597031 0.250101 O\n0.537196 0.336294 0.101482 O\n0.533772 0.334308 0.398521 O\n0.533772 0.334308 0.601479 O\n0.537196 0.336294 0.898518 O\n0.541725 0.544036 0.000000 O\n0.540423 0.541713 0.500000 O\n",
"nsites": 56,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-Li-Mn-O-P",
"density": 3.431425338311798,
"density_atomic": 0.0918244858230753,
"volume": 609.859118709351,
"volume_molar": 6.558316886852253,
"formula_full": "Li8 Mn2 Fe6 P8 O32",
"formula_reduced": "Li4MnFe3(PO4)4",
"formula_anonymous": "AB3C4D4E16",
"energy": -427.13913295,
"energy_per_atom": -7.6274845169642855,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -388.28313295,
"band_gap": 3.8727,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 34.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:36.981000Z",
"spacegroup": 31
}
]
}