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_per_atom&page=61",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formation_energy_per_atom&page=59",
"results": [
{
"id": "mp-1191853",
"created_at": "2022-09-04T14:44:18.728979Z",
"structure_string": "Nd2 Co18 Si4\n1.0\n-4.836017 4.836017 3.134293\n4.836017 -4.836017 3.134293\n4.836017 4.836017 -3.134293\nNd Co Si\n2 18 4\ndirect\n0.000000 0.000000 0.000000 Nd\n0.250000 0.750000 0.500000 Nd\n0.750000 0.250000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.183051 0.515066 0.080440 Co\n0.183051 0.102611 0.667985 Co\n0.765066 0.933051 0.580440 Co\n0.765066 0.184626 0.832015 Co\n0.434626 0.515066 0.332015 Co\n0.434626 0.102611 0.919560 Co\n0.352611 0.933051 0.167985 Co\n0.352611 0.184626 0.419560 Co\n0.066949 0.234934 0.419560 Co\n0.066949 0.647389 0.832015 Co\n0.484934 0.816949 0.919560 Co\n0.484934 0.565374 0.667985 Co\n0.815374 0.234934 0.167985 Co\n0.815374 0.647389 0.580440 Co\n0.897389 0.816949 0.332015 Co\n0.897389 0.565374 0.080440 Co\n0.125000 0.375000 0.750000 Si\n0.625000 0.875000 0.250000 Si\n0.625000 0.375000 0.750000 Si\n0.625000 0.375000 0.250000 Si\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Nd",
"Co",
"Si"
],
"chemical_system": "Co-Nd-Si",
"density": 8.277694528902053,
"density_atomic": 0.08185326735236813,
"volume": 293.20759911370413,
"volume_molar": 7.3572393073515725,
"formula_full": "Nd2 Co18 Si4",
"formula_reduced": "NdCo9Si2",
"formula_anonymous": "AB2C9",
"energy": -165.68174011000002,
"energy_per_atom": -6.903405837916668,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -165.96574011,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 17.9303305,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:33.382000Z",
"spacegroup": 141
},
{
"id": "mp-568324",
"created_at": "2022-09-04T14:44:18.732066Z",
"structure_string": "Cr10 Ge6\n1.0\n-4.660668 4.660668 2.358332\n4.660668 -4.660668 2.358332\n4.660668 4.660668 -2.358332\nCr Ge\n10 6\ndirect\n0.264905 0.421790 0.686694 Cr\n0.578210 0.264905 0.843115 Cr\n0.735095 0.578210 0.313306 Cr\n0.750000 0.250000 0.500000 Cr\n0.764905 0.078210 0.843115 Cr\n0.078210 0.235095 0.313306 Cr\n0.421790 0.735095 0.156885 Cr\n0.235095 0.921790 0.156885 Cr\n0.921790 0.764905 0.686694 Cr\n0.250000 0.750000 0.500000 Cr\n0.666610 0.833390 0.500000 Ge\n0.250000 0.250000 0.000000 Ge\n0.750000 0.750000 0.000000 Ge\n0.833390 0.333390 0.166780 Ge\n0.166610 0.666610 0.833220 Ge\n0.333390 0.166610 0.500000 Ge\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Cr",
"Ge"
],
"chemical_system": "Cr-Ge",
"density": 7.745604330834574,
"density_atomic": 0.07808339948197748,
"volume": 204.90911136230665,
"volume_molar": 7.712446947689538,
"formula_full": "Cr10 Ge6",
"formula_reduced": "Cr5Ge3",
"formula_anonymous": "A3B5",
"energy": -123.96079119,
"energy_per_atom": -7.747549449375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -123.96079119,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9580674,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:38.479000Z",
"spacegroup": 140
},
{
"id": "mp-1188056",
"created_at": "2022-09-04T14:44:18.740416Z",
"structure_string": "Zr6 Sb2\n1.0\n3.145369 -5.447939 0.000000\n3.145369 5.447939 0.000000\n0.000000 0.000000 5.207531\nZr Sb\n6 2\ndirect\n0.166249 0.332498 0.250000 Zr\n0.667502 0.833751 0.250000 Zr\n0.166249 0.833751 0.250000 Zr\n0.833751 0.667502 0.750000 Zr\n0.332498 0.166249 0.750000 Zr\n0.833751 0.166249 0.750000 Zr\n0.333333 0.666667 0.750000 Sb\n0.666667 0.333333 0.250000 Sb\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zr",
"Sb"
],
"chemical_system": "Sb-Zr",
"density": 7.358430739505846,
"density_atomic": 0.04482541190528727,
"volume": 178.47019491763731,
"volume_molar": 13.434657940733107,
"formula_full": "Zr6 Sb2",
"formula_reduced": "Zr3Sb",
"formula_anonymous": "AB3",
"energy": -63.05986568,
"energy_per_atom": -7.88248321,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -62.67586568,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0793598,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:34.887000Z",
"spacegroup": 194
},
{
"id": "mp-771762",
"created_at": "2022-09-04T14:44:18.741401Z",
"structure_string": "Ho6 Sb10 O24\n1.0\n-5.443023 5.443023 5.443023\n5.443023 -5.443023 5.443023\n5.443023 5.443023 -5.443023\nHo Sb O\n6 10 24\ndirect\n0.750000 0.250000 0.500000 Ho\n0.750000 0.500000 0.250000 Ho\n0.500000 0.250000 0.750000 Ho\n0.500000 0.750000 0.250000 Ho\n0.250000 0.750000 0.500000 Ho\n0.250000 0.500000 0.750000 Ho\n0.515561 0.000000 0.000000 Sb\n0.283994 0.000000 0.283994 Sb\n0.283994 0.283994 0.000000 Sb\n0.716006 0.000000 0.716006 Sb\n0.716006 0.716006 0.000000 Sb\n0.000000 0.515561 0.000000 Sb\n0.000000 0.000000 0.515561 Sb\n0.484439 0.484439 0.484439 Sb\n0.000000 0.283994 0.283994 Sb\n0.000000 0.716006 0.716006 Sb\n0.479918 0.000000 0.201846 O\n0.479918 0.201847 0.000000 O\n0.702875 0.500875 0.000000 O\n0.702875 0.000000 0.500875 O\n0.798000 0.297125 0.297125 O\n0.499125 0.499125 0.202000 O\n0.499125 0.202000 0.499125 O\n0.500875 0.702875 0.000000 O\n0.500875 0.000000 0.702875 O\n0.721929 0.520082 0.520082 O\n0.798154 0.278071 0.798153 O\n0.798154 0.798154 0.278071 O\n0.201847 0.479918 0.000000 O\n0.201847 0.000000 0.479918 O\n0.520082 0.721929 0.520082 O\n0.520082 0.520082 0.721929 O\n0.000000 0.479918 0.201846 O\n0.000000 0.201846 0.479918 O\n0.297125 0.798000 0.297125 O\n0.297125 0.297125 0.798000 O\n0.202000 0.499125 0.499125 O\n0.000000 0.702875 0.500875 O\n0.000000 0.500875 0.702875 O\n0.278071 0.798153 0.798153 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Ho",
"Sb",
"O"
],
"chemical_system": "Ho-O-Sb",
"density": 6.670587555521863,
"density_atomic": 0.06201253591684307,
"volume": 645.0308701072762,
"volume_molar": 9.711166735828236,
"formula_full": "Ho6 Sb10 O24",
"formula_reduced": "Ho3Sb5O12",
"formula_anonymous": "A3B5C12",
"energy": -294.37390219,
"energy_per_atom": -7.35934755475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -277.88590219,
"band_gap": 3.1294,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008951,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:37.920000Z",
"spacegroup": 217
},
{
"id": "mp-1022657",
"created_at": "2022-09-04T14:44:18.745471Z",
"structure_string": "Y2 Mg12 W2\n1.0\n5.024641 0.000000 0.000000\n0.000000 6.247724 0.000000\n0.000000 0.000000 11.265250\nY Mg W\n2 12 2\ndirect\n0.000000 0.500000 0.309545 Y\n0.000000 0.000000 0.809545 Y\n0.000000 0.261968 0.075217 Mg\n0.000000 0.738032 0.075217 Mg\n0.000000 0.000000 0.328832 Mg\n0.500000 0.752115 0.427350 Mg\n0.500000 0.247885 0.427350 Mg\n0.500000 0.000000 0.171956 Mg\n0.000000 0.761968 0.575217 Mg\n0.000000 0.238032 0.575217 Mg\n0.000000 0.500000 0.828832 Mg\n0.500000 0.252115 0.927350 Mg\n0.500000 0.747885 0.927350 Mg\n0.500000 0.500000 0.671956 Mg\n0.500000 0.500000 0.184533 W\n0.500000 0.000000 0.684533 W\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Y",
"Mg",
"W"
],
"chemical_system": "Mg-W-Y",
"density": 3.9308416877651458,
"density_atomic": 0.04524309170188055,
"volume": 353.645151074743,
"volume_molar": 13.3106304928973,
"formula_full": "Y2 Mg12 W2",
"formula_reduced": "YMg6W",
"formula_anonymous": "ABC6",
"energy": -53.63237281,
"energy_per_atom": -3.352023300625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -53.63237281,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0060149,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:25.545000Z",
"spacegroup": 38
},
{
"id": "mp-973203",
"created_at": "2022-09-04T14:44:18.754955Z",
"structure_string": "Sb3 Mo1\n1.0\n0.000000 3.547448 3.547448\n3.547448 0.000000 3.547448\n3.547448 3.547448 0.000000\nSb Mo\n3 1\ndirect\n0.250000 0.250000 0.250000 Sb\n0.750000 0.750000 0.750000 Sb\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.000000 Mo\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sb",
"Mo"
],
"chemical_system": "Mo-Sb",
"density": 8.577863261751904,
"density_atomic": 0.044800398942070406,
"volume": 89.28491920735436,
"volume_molar": 13.442158780297891,
"formula_full": "Sb3 Mo1",
"formula_reduced": "Sb3Mo",
"formula_anonymous": "AB3",
"energy": -21.44203756,
"energy_per_atom": -5.36050939,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.86603756,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.004669,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:30.943000Z",
"spacegroup": 225
},
{
"id": "mp-1215202",
"created_at": "2022-09-04T14:44:18.756161Z",
"structure_string": "Zr1 Nb1\n1.0\n1.720188 -2.439556 0.000000\n1.720188 2.439556 0.000000\n0.000000 0.000000 4.869488\nZr Nb\n1 1\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Nb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zr",
"Nb"
],
"chemical_system": "Nb-Zr",
"density": 7.481256512512194,
"density_atomic": 0.04893617207066488,
"volume": 40.869563665747236,
"volume_molar": 12.306113259745572,
"formula_full": "Zr1 Nb1",
"formula_reduced": "ZrNb",
"formula_anonymous": "AB",
"energy": -18.42734922,
"energy_per_atom": -9.21367461,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.42734922,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0037446,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:33.158000Z",
"spacegroup": 65
},
{
"id": "mp-1232420",
"created_at": "2022-09-04T14:44:18.759393Z",
"structure_string": "Li1 Mg2 Ir1\n1.0\n0.000000 3.186469 3.186469\n3.186469 0.000000 3.186469\n3.186469 3.186469 0.000000\nLi Mg Ir\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750000 Mg\n0.500000 0.500000 0.500000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Ir"
],
"chemical_system": "Ir-Li-Mg",
"density": 6.358215211943562,
"density_atomic": 0.06181600045515092,
"volume": 64.7081656941248,
"volume_molar": 9.742042053285566,
"formula_full": "Li1 Mg2 Ir1",
"formula_reduced": "LiMg2Ir",
"formula_anonymous": "ABC2",
"energy": -15.36735084,
"energy_per_atom": -3.84183771,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.36735084,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0030325,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:35.294000Z",
"spacegroup": 225
},
{
"id": "mp-1211178",
"created_at": "2022-09-04T14:44:18.769335Z",
"structure_string": "K1 Ti4 O8\n1.0\n0.000000 0.000000 3.003558\n-5.103190 5.103190 1.501779\n-5.103190 -5.103190 1.501779\nK Ti O\n1 4 8\ndirect\n0.000000 0.000000 0.000000 K\n0.330592 0.817659 0.521157 Ti\n0.669408 0.182341 0.478843 Ti\n0.851749 0.478843 0.817659 Ti\n0.148251 0.521157 0.182341 Ti\n0.299968 0.046072 0.353992 O\n0.700032 0.953928 0.646008 O\n0.653960 0.646008 0.046072 O\n0.346040 0.353992 0.953928 O\n0.042052 0.292594 0.623301 O\n0.957948 0.707406 0.376699 O\n0.665354 0.376699 0.292594 O\n0.334646 0.623301 0.707406 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"K",
"Ti",
"O"
],
"chemical_system": "K-O-Ti",
"density": 3.8059515798986845,
"density_atomic": 0.08309862880470825,
"volume": 156.4406078294211,
"volume_molar": 7.246979699451785,
"formula_full": "K1 Ti4 O8",
"formula_reduced": "KTi4O8",
"formula_anonymous": "AB4C8",
"energy": -115.55099568999998,
"energy_per_atom": -8.888538129999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -110.05499569,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.000255,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:36.435000Z",
"spacegroup": 87
},
{
"id": "mp-1189354",
"created_at": "2022-09-04T14:44:18.799433Z",
"structure_string": "Nd1 Sb12 Ru4\n1.0\n-4.695734 4.695734 4.695734\n4.695734 -4.695734 4.695734\n4.695734 4.695734 -4.695734\nNd Sb Ru\n1 12 4\ndirect\n0.000000 0.000000 0.000000 Nd\n0.339051 0.181039 0.841988 Sb\n0.660949 0.818961 0.158012 Sb\n0.660949 0.502937 0.841988 Sb\n0.339051 0.497063 0.158012 Sb\n0.181039 0.841988 0.339051 Sb\n0.818961 0.158012 0.660949 Sb\n0.502937 0.841988 0.660949 Sb\n0.497063 0.158012 0.339051 Sb\n0.841988 0.339051 0.181039 Sb\n0.158012 0.660949 0.818961 Sb\n0.841988 0.660949 0.502937 Sb\n0.158012 0.339051 0.497063 Sb\n0.000000 0.000000 0.500000 Ru\n0.500000 0.000000 0.000000 Ru\n0.000000 0.500000 0.000000 Ru\n0.500000 0.500000 0.500000 Ru\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Nd",
"Sb",
"Ru"
],
"chemical_system": "Nd-Ru-Sb",
"density": 8.057444867309,
"density_atomic": 0.041046720856347974,
"volume": 414.16219481929477,
"volume_molar": 14.671429615719624,
"formula_full": "Nd1 Sb12 Ru4",
"formula_reduced": "Nd(Sb3Ru)4",
"formula_anonymous": "AB4C12",
"energy": -99.2388847,
"energy_per_atom": -5.837581452941176,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -96.9348847,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000506,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:35.897000Z",
"spacegroup": 204
},
{
"id": "mp-767613",
"created_at": "2022-09-04T14:44:18.760013Z",
"structure_string": "Rb4 V4 B4 P8 H4 O36\n1.0\n8.472076 0.000000 0.000000\n0.000000 9.538675 0.000000\n0.000000 2.112213 9.595188\nRb V B P H O\n4 4 4 8 4 36\ndirect\n0.398816 0.811279 0.561752 Rb\n0.101184 0.811279 0.061752 Rb\n0.898816 0.188721 0.938248 Rb\n0.601184 0.188721 0.438248 Rb\n0.652236 0.791643 0.935405 V\n0.847764 0.791643 0.435405 V\n0.152236 0.208357 0.564595 V\n0.347764 0.208357 0.064595 V\n0.057499 0.665870 0.695578 B\n0.442501 0.665870 0.195578 B\n0.557499 0.334130 0.804422 B\n0.942501 0.334130 0.304422 B\n0.935444 0.925378 0.709423 P\n0.564556 0.925378 0.209423 P\n0.739965 0.578441 0.718422 P\n0.760035 0.578441 0.218422 P\n0.239965 0.421559 0.781578 P\n0.260035 0.421559 0.281578 P\n0.435444 0.074622 0.790577 P\n0.064556 0.074622 0.290577 P\n0.084398 0.608448 0.502222 H\n0.415602 0.608448 0.002222 H\n0.584398 0.391552 0.997778 H\n0.915602 0.391552 0.497778 H\n0.513123 0.927419 0.804787 O\n0.844154 0.897013 0.848489 O\n0.833460 0.912682 0.583167 O\n0.986877 0.927419 0.304787 O\n0.655846 0.897013 0.348489 O\n0.073813 0.808576 0.727626 O\n0.666540 0.912682 0.083167 O\n0.426187 0.808576 0.227626 O\n0.630283 0.652683 0.803833 O\n0.050468 0.690193 0.539099 O\n0.719992 0.634119 0.561108 O\n0.917475 0.586714 0.762415 O\n0.203805 0.587712 0.745434 O\n0.869717 0.652683 0.303833 O\n0.449532 0.690193 0.039099 O\n0.780008 0.634119 0.061108 O\n0.582525 0.586714 0.262415 O\n0.296195 0.587712 0.245434 O\n0.703805 0.412288 0.754566 O\n0.417475 0.413286 0.737585 O\n0.219992 0.365881 0.938892 O\n0.550468 0.309807 0.960901 O\n0.130283 0.347317 0.696167 O\n0.796195 0.412288 0.254566 O\n0.082525 0.413286 0.237585 O\n0.280008 0.365881 0.438892 O\n0.949532 0.309807 0.460901 O\n0.369717 0.347317 0.196167 O\n0.573813 0.191424 0.772374 O\n0.333460 0.087318 0.916833 O\n0.926187 0.191424 0.272374 O\n0.344154 0.102987 0.651511 O\n0.013123 0.072581 0.695213 O\n0.166540 0.087318 0.416833 O\n0.155846 0.102987 0.151511 O\n0.486877 0.072581 0.195213 O\n",
"nsites": 60,
"nelements": 6,
"elements": [
"Rb",
"V",
"B",
"P",
"H",
"O"
],
"chemical_system": "B-H-O-P-Rb-V",
"density": 3.033820791917225,
"density_atomic": 0.07737842171283686,
"volume": 775.4099744069368,
"volume_molar": 7.7827133543109515,
"formula_full": "Rb4 V4 B4 P8 H4 O36",
"formula_reduced": "RbVBP2HO9",
"formula_anonymous": "ABCDE2F9",
"energy": -459.12457077,
"energy_per_atom": -7.6520761795,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -427.59257077,
"band_gap": 1.7429,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 8.0011259,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:33.774000Z",
"spacegroup": 14
},
{
"id": "mp-1189227",
"created_at": "2022-09-04T14:44:16.528871Z",
"structure_string": "Na2 Al2 P4 S12\n1.0\n0.000000 5.591220 10.487172\n4.132463 0.000000 10.487172\n4.132463 5.591220 0.000000\nNa Al P S\n2 2 4 12\ndirect\n0.843066 0.843066 0.656934 Na\n0.593066 0.593066 0.406934 Na\n0.177484 0.177484 0.322516 Al\n0.927484 0.927484 0.072516 Al\n0.966915 0.067677 0.652321 P\n0.067677 0.966915 0.313088 P\n0.936912 0.597679 0.182323 P\n0.597679 0.936912 0.283085 P\n0.082440 0.621098 0.941440 S\n0.621098 0.082440 0.355021 S\n0.894979 0.308560 0.628902 S\n0.308560 0.894979 0.167560 S\n0.206780 0.810708 0.756505 S\n0.810708 0.206780 0.226008 S\n0.023992 0.493495 0.439292 S\n0.493495 0.023992 0.043220 S\n0.165784 0.716010 0.273100 S\n0.716010 0.165784 0.845106 S\n0.404894 0.976900 0.533990 S\n0.976900 0.404894 0.084216 S\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Na",
"Al",
"P",
"S"
],
"chemical_system": "Al-Na-P-S",
"density": 2.085401630399595,
"density_atomic": 0.04126920039143701,
"volume": 484.6229103132762,
"volume_molar": 14.592336907137025,
"formula_full": "Na2 Al2 P4 S12",
"formula_reduced": "NaAl(PS3)2",
"formula_anonymous": "ABC2D6",
"energy": -100.42779471,
"energy_per_atom": -5.0213897355,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -94.39179471,
"band_gap": 2.6538,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:35.041000Z",
"spacegroup": 43
}
]
}