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=nelements&page=8",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nelements&page=6",
"results": [
{
"id": "mp-7236",
"created_at": "2022-09-04T14:39:27.576899Z",
"structure_string": "Ho1\n1.0\n-1.991490 1.991490 1.991490\n1.991490 -1.991490 1.991490\n1.991490 1.991490 -1.991490\nHo\n1\ndirect\n0.000000 0.000000 0.000000 Ho\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ho"
],
"chemical_system": "Ho",
"density": 8.66872483624529,
"density_atomic": 0.03165232517078593,
"volume": 31.593255617219796,
"volume_molar": 19.02590323935583,
"formula_full": "Ho1",
"formula_reduced": "Ho",
"formula_anonymous": "A",
"energy": -4.43741302,
"energy_per_atom": -4.43741302,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.43741302,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0125212,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:25.655000Z",
"spacegroup": 229
},
{
"id": "mp-93",
"created_at": "2022-09-04T14:39:27.657490Z",
"structure_string": "U30\n1.0\n10.433955 0.000000 0.000000\n0.000000 10.433955 0.000000\n0.000000 0.000000 5.653269\nU\n30\ndirect\n0.500000 0.500000 0.500000 U\n0.000000 0.000000 0.000000 U\n0.889046 0.110954 0.500000 U\n0.110954 0.889046 0.500000 U\n0.389046 0.389046 0.000000 U\n0.610954 0.610954 0.000000 U\n0.952900 0.361970 0.500000 U\n0.047100 0.638030 0.500000 U\n0.452900 0.138030 0.000000 U\n0.547100 0.861970 0.000000 U\n0.361970 0.952900 0.500000 U\n0.638030 0.047100 0.500000 U\n0.138030 0.452900 0.000000 U\n0.861970 0.547100 0.000000 U\n0.234212 0.443962 0.500000 U\n0.765788 0.556038 0.500000 U\n0.734212 0.056038 0.000000 U\n0.265788 0.943962 0.000000 U\n0.443962 0.234212 0.500000 U\n0.556038 0.765788 0.500000 U\n0.056038 0.734212 0.000000 U\n0.943962 0.265788 0.000000 U\n0.679723 0.320277 0.225695 U\n0.320277 0.679723 0.225695 U\n0.179723 0.179723 0.725695 U\n0.820277 0.820277 0.725695 U\n0.320277 0.679723 0.774305 U\n0.679723 0.320277 0.774305 U\n0.820277 0.820277 0.274305 U\n0.179723 0.179723 0.274305 U\n",
"nsites": 30,
"nelements": 1,
"elements": [
"U"
],
"chemical_system": "U",
"density": 19.266485072517842,
"density_atomic": 0.04874428282566062,
"volume": 615.4567933084246,
"volume_molar": 12.354558136671862,
"formula_full": "U30",
"formula_reduced": "U",
"formula_anonymous": "A",
"energy": -335.68289859,
"energy_per_atom": -11.189429953,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -335.68289859,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.4516511,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:26.536000Z",
"spacegroup": 136
},
{
"id": "mp-111",
"created_at": "2022-09-04T14:39:18.736271Z",
"structure_string": "Ne1\n1.0\n0.000000 2.151913 2.151913\n2.151913 0.000000 2.151913\n2.151913 2.151913 0.000000\nNe\n1\ndirect\n0.000000 0.000000 0.000000 Ne\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ne"
],
"chemical_system": "Ne",
"density": 1.6813560067118354,
"density_atomic": 0.05017598152395371,
"volume": 19.92985427744161,
"volume_molar": 12.002038778504145,
"formula_full": "Ne1",
"formula_reduced": "Ne",
"formula_anonymous": "A",
"energy": -0.02593678,
"energy_per_atom": -0.02593678,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.02593678,
"band_gap": 11.6041,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 6.25e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:39.586000Z",
"spacegroup": 225
},
{
"id": "mp-1181996",
"created_at": "2022-09-04T14:39:35.001890Z",
"structure_string": "C1\n1.0\n-0.810135 0.810135 3.121612\n0.810135 -0.810135 3.121612\n0.810135 0.810135 -3.121612\nC\n1\ndirect\n0.000000 0.000000 0.000000 C\n",
"nsites": 1,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 2.4336813470971252,
"density_atomic": 0.12202429202519499,
"volume": 8.195089546543116,
"volume_molar": 4.935198279008722,
"formula_full": "C1",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -6.59184474,
"energy_per_atom": -6.59184474,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.59184474,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.7e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.937000Z",
"spacegroup": 139
},
{
"id": "mp-1271068",
"created_at": "2022-09-04T14:39:35.204718Z",
"structure_string": "Fe4\n1.0\n2.293357 0.088731 -0.865052\n-1.069886 2.030382 -0.865198\n2.269413 3.930027 6.418011\nFe\n4\ndirect\n0.999963 0.000038 0.499809 Fe\n0.500037 0.499962 0.750186 Fe\n0.999965 0.000036 0.999873 Fe\n0.500034 0.499965 0.250132 Fe\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Fe"
],
"chemical_system": "Fe",
"density": 8.109373819647873,
"density_atomic": 0.08744881481646513,
"volume": 45.741043013505404,
"volume_molar": 6.886474988413603,
"formula_full": "Fe4",
"formula_reduced": "Fe",
"formula_anonymous": "A",
"energy": -33.81180542,
"energy_per_atom": -8.452951355,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.81180542,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.8097568,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.447000Z",
"spacegroup": 139
},
{
"id": "mp-754514",
"created_at": "2022-09-04T14:39:38.916775Z",
"structure_string": "N2\n1.0\n-1.083636 1.692473 3.886485\n1.083636 -1.692473 3.886485\n1.083636 1.692473 -3.886485\nN\n2\ndirect\n0.605821 0.250000 0.355821 N\n0.394179 0.750000 0.644179 N\n",
"nsites": 2,
"nelements": 1,
"elements": [
"N"
],
"chemical_system": "N",
"density": 1.6315213420227785,
"density_atomic": 0.07014679530510878,
"volume": 28.511637506757776,
"volume_molar": 8.58505471818954,
"formula_full": "N2",
"formula_reduced": "N",
"formula_anonymous": "A",
"energy": -14.59734601,
"energy_per_atom": -7.298673005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.59734601,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.24e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:35.763000Z",
"spacegroup": 74
},
{
"id": "mp-567308",
"created_at": "2022-09-04T14:39:44.420730Z",
"structure_string": "Sc4\n1.0\n-3.077471 3.077471 2.702332\n3.077471 -3.077471 2.702332\n3.077471 3.077471 -2.702332\nSc\n4\ndirect\n0.664576 0.164576 0.829152 Sc\n0.335424 0.835424 0.170848 Sc\n0.835424 0.664576 0.500000 Sc\n0.164576 0.335424 0.500000 Sc\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Sc"
],
"chemical_system": "Sc",
"density": 2.9168175716603804,
"density_atomic": 0.03907269414054031,
"volume": 102.37328364438929,
"volume_molar": 15.412658104247951,
"formula_full": "Sc4",
"formula_reduced": "Sc",
"formula_anonymous": "A",
"energy": -24.50694226,
"energy_per_atom": -6.126735565,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.50694226,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0027389,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:37.036000Z",
"spacegroup": 140
},
{
"id": "mp-721759",
"created_at": "2022-09-04T14:39:45.126233Z",
"structure_string": "N1\n1.0\n0.000000 1.537618 1.537618\n1.537618 0.000000 1.537618\n1.537618 1.537618 0.000000\nN\n1\ndirect\n0.000000 0.000000 0.000000 N\n",
"nsites": 1,
"nelements": 1,
"elements": [
"N"
],
"chemical_system": "N",
"density": 3.1989655675646826,
"density_atomic": 0.13753861324170039,
"volume": 7.270685492827185,
"volume_molar": 4.378509145949527,
"formula_full": "N1",
"formula_reduced": "N",
"formula_anonymous": "A",
"energy": -3.82991611,
"energy_per_atom": -3.82991611,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.82991611,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002661,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:25.212000Z",
"spacegroup": 225
},
{
"id": "mp-1187073",
"created_at": "2022-09-04T14:39:48.316610Z",
"structure_string": "Sr3\n1.0\n10.516069 -2.123055 0.000000\n10.516069 2.123055 0.000000\n10.087452 0.000000 3.652175\nSr\n3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.222383 0.222383 0.222383 Sr\n0.777617 0.777617 0.777617 Sr\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Sr"
],
"chemical_system": "Sr",
"density": 2.676562283628263,
"density_atomic": 0.018396068055793996,
"volume": 163.07832689579146,
"volume_molar": 32.736021315725,
"formula_full": "Sr3",
"formula_reduced": "Sr",
"formula_anonymous": "A",
"energy": -5.06848036,
"energy_per_atom": -1.6894934533333332,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.06848036,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002302,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:26.079000Z",
"spacegroup": 166
},
{
"id": "mp-557376",
"created_at": "2022-09-04T14:39:59.632023Z",
"structure_string": "S20\n1.0\n5.462082 6.650226 0.000000\n-5.462082 6.650226 0.000000\n0.000000 2.516740 8.833621\nS\n20\ndirect\n0.073095 0.247016 0.146175 S\n0.398123 0.999760 0.802877 S\n0.601877 0.000240 0.197123 S\n0.926905 0.752984 0.853825 S\n0.232759 0.610465 0.583195 S\n0.381147 0.473862 0.731753 S\n0.247016 0.073095 0.646175 S\n0.872353 0.983220 0.730724 S\n0.000240 0.601877 0.697123 S\n0.752984 0.926905 0.353825 S\n0.016780 0.127647 0.769276 S\n0.473862 0.381147 0.231753 S\n0.610465 0.232759 0.083195 S\n0.127647 0.016780 0.269276 S\n0.767241 0.389535 0.416805 S\n0.983220 0.872353 0.230724 S\n0.999760 0.398123 0.302877 S\n0.526138 0.618853 0.768247 S\n0.618853 0.526138 0.268247 S\n0.389535 0.767241 0.916805 S\n",
"nsites": 20,
"nelements": 1,
"elements": [
"S"
],
"chemical_system": "S",
"density": 1.6593842329137614,
"density_atomic": 0.031164963134210757,
"volume": 641.7463070266036,
"volume_molar": 19.323432965621922,
"formula_full": "S20",
"formula_reduced": "S",
"formula_anonymous": "A",
"energy": -82.09326987,
"energy_per_atom": -4.1046634935,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -82.09326987,
"band_gap": 2.1627,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006888,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:43.703000Z",
"spacegroup": 15
},
{
"id": "mp-1182425",
"created_at": "2022-09-04T14:40:01.345437Z",
"structure_string": "B12\n1.0\n3.621913 2.310403 6.163776\n-2.133934 2.569353 3.013264\n-3.060961 -4.544889 -1.076794\nB\n12\ndirect\n0.205361 0.740347 0.000000 B\n0.998252 0.468183 0.753717 B\n0.244535 0.468183 0.246283 B\n0.794639 0.259653 0.000000 B\n0.001748 0.531817 0.246283 B\n0.755465 0.531817 0.753717 B\n0.088000 0.179893 0.000000 B\n0.481624 0.567711 0.363304 B\n0.118320 0.567711 0.636696 B\n0.912000 0.820107 0.000000 B\n0.518376 0.432289 0.636696 B\n0.881680 0.432289 0.363304 B\n",
"nsites": 12,
"nelements": 1,
"elements": [
"B"
],
"chemical_system": "B",
"density": 1.7771704951419987,
"density_atomic": 0.09899519822368441,
"volume": 121.21800062347896,
"volume_molar": 6.083265520002984,
"formula_full": "B12",
"formula_reduced": "B",
"formula_anonymous": "A",
"energy": -74.36469827,
"energy_per_atom": -6.197058189166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -74.36469827,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003072,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.579000Z",
"spacegroup": 12
},
{
"id": "mp-1181265",
"created_at": "2022-09-04T14:41:19.239506Z",
"structure_string": "H16\n1.0\n6.061511 0.000000 0.000000\n0.000000 6.507494 0.000000\n0.000000 0.000000 9.083183\nH\n16\ndirect\n0.750000 0.114251 0.817708 H\n0.750000 0.385749 0.317708 H\n0.250000 0.885749 0.182292 H\n0.250000 0.614251 0.682292 H\n0.750000 0.204237 0.049089 H\n0.750000 0.295763 0.549089 H\n0.250000 0.795763 0.950911 H\n0.250000 0.704237 0.450911 H\n0.903664 0.205616 0.044758 H\n0.596336 0.294384 0.544758 H\n0.403664 0.794384 0.955242 H\n0.096336 0.705616 0.455242 H\n0.096336 0.794384 0.955242 H\n0.403664 0.705616 0.455242 H\n0.596336 0.205616 0.044758 H\n0.903664 0.294384 0.544758 H\n",
"nsites": 16,
"nelements": 1,
"elements": [
"H"
],
"chemical_system": "H",
"density": 0.07474308556607644,
"density_atomic": 0.04465676352473224,
"volume": 358.28839210747384,
"volume_molar": 13.485394562158001,
"formula_full": "H16",
"formula_reduced": "H",
"formula_anonymous": "A",
"energy": -35.19699029,
"energy_per_atom": -2.199811893125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.19699029,
"band_gap": 1.5177999999999998,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:15.321000Z",
"spacegroup": 62
}
]
}