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=volume_molar&page=2",
"previous": null,
"results": [
{
"id": "mp-1079939",
"created_at": "2022-09-04T14:42:43.342275Z",
"structure_string": "Fe2 H8\n1.0\n3.687712 0.000000 0.000000\n0.000000 2.896848 0.000000\n0.000000 0.889615 4.083115\nFe H\n2 8\ndirect\n0.250000 0.503083 0.764339 Fe\n0.750000 0.496917 0.235661 Fe\n0.501449 0.206371 0.568763 H\n0.001449 0.793629 0.431237 H\n0.498551 0.793629 0.431237 H\n0.998551 0.206371 0.568763 H\n0.750000 0.546852 0.849842 H\n0.250000 0.453148 0.150158 H\n0.500000 0.000000 0.000000 H\n0.000000 0.000000 0.000000 H\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Fe",
"H"
],
"chemical_system": "Fe-H",
"density": 4.558931521522122,
"density_atomic": 0.22925862511010023,
"volume": 43.618860556271564,
"volume_molar": 2.6267891806067927,
"formula_full": "Fe2 H8",
"formula_reduced": "FeH4",
"formula_anonymous": "AB4",
"energy": -41.93624231,
"energy_per_atom": -4.193624230999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.50424231,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.74e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:53.327000Z",
"spacegroup": 11
},
{
"id": "mp-1080476",
"created_at": "2022-09-04T14:45:29.780098Z",
"structure_string": "Fe2 H6\n1.0\n3.284726 0.000000 0.000000\n0.000000 3.284726 0.000000\n0.000000 0.000000 3.284726\nFe H\n2 6\ndirect\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.500000 0.000000 0.750000 H\n0.000000 0.250000 0.500000 H\n0.750000 0.500000 0.000000 H\n0.500000 0.000000 0.250000 H\n0.000000 0.750000 0.500000 H\n0.250000 0.500000 0.000000 H\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Fe",
"H"
],
"chemical_system": "Fe-H",
"density": 5.516542640066301,
"density_atomic": 0.22573169496858866,
"volume": 35.44030447790341,
"volume_molar": 2.667831276789908,
"formula_full": "Fe2 H6",
"formula_reduced": "FeH3",
"formula_anonymous": "AB3",
"energy": -34.9642892,
"energy_per_atom": -4.37053615,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.8902892,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9429422,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:59.339000Z",
"spacegroup": 223
},
{
"id": "mp-1183678",
"created_at": "2022-09-04T14:46:13.088560Z",
"structure_string": "Co1 H3\n1.0\n2.611335 0.000000 0.000000\n0.000000 2.611335 0.000000\n0.000000 0.000000 2.611335\nCo H\n1 3\ndirect\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.500000 H\n0.500000 0.000000 0.500000 H\n0.500000 0.500000 0.000000 H\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Co",
"H"
],
"chemical_system": "Co-H",
"density": 5.777657780423185,
"density_atomic": 0.224632309538099,
"volume": 17.806877417701017,
"volume_molar": 2.6808880576365213,
"formula_full": "Co1 H3",
"formula_reduced": "CoH3",
"formula_anonymous": "AB3",
"energy": -16.80960588,
"energy_per_atom": -4.20240147,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.27260588,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011384,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:25.217000Z",
"spacegroup": 221
},
{
"id": "mp-1018061",
"created_at": "2022-09-04T14:48:07.155052Z",
"structure_string": "Fe1 H3\n1.0\n2.611558 0.000000 0.000000\n0.000000 2.611558 0.000000\n0.000000 0.000000 2.611558\nFe H\n1 3\ndirect\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.000000 H\n0.500000 0.000000 0.500000 H\n0.000000 0.500000 0.500000 H\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Fe",
"H"
],
"chemical_system": "Fe-H",
"density": 5.48826915184629,
"density_atomic": 0.22457477063481782,
"volume": 17.811439765441953,
"volume_molar": 2.681574935143821,
"formula_full": "Fe1 H3",
"formula_reduced": "FeH3",
"formula_anonymous": "AB3",
"energy": -18.05953845,
"energy_per_atom": -4.5148846125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.52253845,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.6534773,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:26.665000Z",
"spacegroup": 221
},
{
"id": "mp-694932",
"created_at": "2022-09-04T14:39:44.955873Z",
"structure_string": "Na2 Co6 O12\n1.0\n4.137365 -2.692479 0.000000\n4.137365 2.692479 0.000000\n2.385177 0.000000 4.321824\nNa Co O\n2 6 12\ndirect\n0.185091 0.185091 0.185091 Na\n0.814909 0.814909 0.814909 Na\n0.412208 0.737907 0.098661 Co\n0.587792 0.901339 0.262093 Co\n0.737907 0.098661 0.412208 Co\n0.098661 0.412208 0.737907 Co\n0.901339 0.262093 0.587792 Co\n0.262093 0.587792 0.901339 Co\n0.051609 0.051609 0.051609 O\n0.674942 0.674942 0.674942 O\n0.433237 0.060525 0.763548 O\n0.566763 0.236452 0.939475 O\n0.566193 0.566193 0.566193 O\n0.433807 0.433807 0.433807 O\n0.763548 0.433237 0.060525 O\n0.939475 0.566763 0.236452 O\n0.325058 0.325058 0.325058 O\n0.948391 0.948391 0.948391 O\n0.060525 0.763548 0.433237 O\n0.236452 0.939475 0.566763 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Na",
"Co",
"O"
],
"chemical_system": "Co-Na-O",
"density": 10.201948179036288,
"density_atomic": 0.20770969221004137,
"volume": 96.28823665953675,
"volume_molar": 2.8993065734796124,
"formula_full": "Na2 Co6 O12",
"formula_reduced": "Na(CoO2)3",
"formula_anonymous": "AB3C6",
"energy": -28.18594455,
"energy_per_atom": -1.4092972275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.42594455,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0487167,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:42.612000Z",
"spacegroup": 155
},
{
"id": "mp-1079612",
"created_at": "2022-09-04T14:43:55.752668Z",
"structure_string": "H4 C4\n1.0\n-2.159424 2.159424 2.159424\n2.159424 -2.159424 2.159424\n2.159424 2.159424 -2.159424\nH C\n4 4\ndirect\n0.884775 0.500000 0.000000 H\n0.000000 0.884775 0.500000 H\n0.500000 0.000000 0.884775 H\n0.615225 0.615225 0.615225 H\n0.177042 0.500000 0.000000 C\n0.000000 0.177042 0.500000 C\n0.500000 0.000000 0.177042 C\n0.322958 0.322958 0.322958 C\n",
"nsites": 8,
"nelements": 2,
"elements": [
"H",
"C"
],
"chemical_system": "C-H",
"density": 2.146846254343923,
"density_atomic": 0.19861691141633409,
"volume": 40.27854397166951,
"volume_molar": 3.0320382675655404,
"formula_full": "H4 C4",
"formula_reduced": "HC",
"formula_anonymous": "AB",
"energy": -49.19812798,
"energy_per_atom": -6.1497659975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -49.19812798,
"band_gap": 4.9171,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:23.136000Z",
"spacegroup": 199
},
{
"id": "mp-1183679",
"created_at": "2022-09-04T14:39:29.366005Z",
"structure_string": "Cr1 H3\n1.0\n2.763687 0.000000 0.000000\n0.000000 2.763687 0.000000\n0.000000 0.000000 2.763687\nCr H\n1 3\ndirect\n0.000000 0.000000 0.000000 Cr\n0.000000 0.500000 0.500000 H\n0.500000 0.000000 0.500000 H\n0.500000 0.500000 0.000000 H\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cr",
"H"
],
"chemical_system": "Cr-H",
"density": 4.3281518075185,
"density_atomic": 0.18949311031010044,
"volume": 21.108946881784284,
"volume_molar": 3.178026235436701,
"formula_full": "Cr1 H3",
"formula_reduced": "CrH3",
"formula_anonymous": "AB3",
"energy": -19.48095599,
"energy_per_atom": -4.8702389975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.94395599,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.380401,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.559000Z",
"spacegroup": 221
},
{
"id": "mp-677260",
"created_at": "2022-09-04T14:44:58.748086Z",
"structure_string": "Na2 Co6 O12\n1.0\n4.878589 0.000000 4.878590\n2.439295 1.991676 2.439295\n-3.809753 0.000000 7.062147\nNa Co O\n2 6 12\ndirect\n0.085021 0.333333 0.744936 Na\n0.748312 0.333333 0.755064 Na\n0.990381 0.939556 0.070264 Co\n0.236730 0.939556 0.429736 Co\n0.342751 0.980963 0.070264 Co\n0.596604 0.079481 0.070264 Co\n0.490582 0.079481 0.429736 Co\n0.842952 0.980963 0.429736 Co\n0.945688 0.333333 0.162937 O\n0.586769 0.333333 0.239693 O\n0.752428 0.557855 0.926313 O\n0.856384 0.557855 0.573687 O\n0.443097 0.333333 0.670710 O\n0.390236 0.333333 0.829290 O\n0.976950 0.700692 0.926313 O\n0.080905 0.741454 0.573687 O\n0.246564 0.333333 0.260307 O\n0.887646 0.333333 0.337063 O\n0.344309 0.741454 0.926313 O\n0.489024 0.700692 0.573687 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Na",
"Co",
"O"
],
"chemical_system": "Co-Na-O",
"density": 9.29903632231277,
"density_atomic": 0.1893265814000671,
"volume": 105.63757002371412,
"volume_molar": 3.1808215811358154,
"formula_full": "Na2 Co6 O12",
"formula_reduced": "Na(CoO2)3",
"formula_anonymous": "AB3C6",
"energy": -64.45734567,
"energy_per_atom": -3.2228672835,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -52.69734567,
"band_gap": 0.192400000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003885,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:46.669000Z",
"spacegroup": 155
},
{
"id": "mp-644118",
"created_at": "2022-09-04T14:46:21.564837Z",
"structure_string": "H20 N8 Cl4\n1.0\n0.000000 8.802307 10.651083\n0.911301 0.000000 10.651083\n0.911301 8.802307 0.000000\nH N Cl\n20 8 4\ndirect\n0.549441 0.882061 0.229952 H\n0.338546 0.229952 0.882061 H\n0.367939 0.700559 0.911454 H\n0.020048 0.911454 0.700559 H\n0.761830 0.766308 0.930319 H\n0.541544 0.930319 0.766307 H\n0.483692 0.488170 0.708456 H\n0.319681 0.708456 0.488170 H\n0.914948 0.679987 0.004137 H\n0.400928 0.004137 0.679987 H\n0.570013 0.335052 0.849072 H\n0.245863 0.849072 0.335052 H\n0.916068 0.812710 0.895894 H\n0.375328 0.895894 0.812710 H\n0.437290 0.333932 0.874672 H\n0.354106 0.874672 0.333932 H\n0.365791 0.346189 0.766040 H\n0.521980 0.766040 0.346189 H\n0.903811 0.884209 0.728020 H\n0.483960 0.728020 0.884209 H\n0.570719 0.814317 0.316956 N\n0.298008 0.316956 0.814317 N\n0.435683 0.679281 0.951992 N\n0.933044 0.951992 0.679281 N\n0.863625 0.766323 0.939853 N\n0.430199 0.939853 0.766323 N\n0.483677 0.386375 0.819801 N\n0.310147 0.819801 0.386375 N\n0.663289 0.201721 0.313834 Cl\n0.821156 0.313834 0.201721 Cl\n0.048279 0.586711 0.428844 Cl\n0.936166 0.428844 0.586711 Cl\n",
"nsites": 32,
"nelements": 3,
"elements": [
"H",
"N",
"Cl"
],
"chemical_system": "Cl-H-N",
"density": 2.6629082918479634,
"density_atomic": 0.1872698468606029,
"volume": 170.87641463080638,
"volume_molar": 3.2157556920963737,
"formula_full": "H20 N8 Cl4",
"formula_reduced": "H5N2Cl",
"formula_anonymous": "AB2C5",
"energy": -119.03565327,
"energy_per_atom": -3.7198641646875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -113.69165327,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:23.226000Z",
"spacegroup": 43
},
{
"id": "mp-1102232",
"created_at": "2022-09-04T14:41:30.736394Z",
"structure_string": "H4 C4 N4\n1.0\n4.027221 0.000000 0.000000\n0.000000 4.027221 0.000000\n0.000000 0.000000 4.027221\nH C N\n4 4 4\ndirect\n0.082260 0.582260 0.917740 H\n0.582260 0.917740 0.082260 H\n0.917740 0.082260 0.582260 H\n0.417740 0.417740 0.417740 H\n0.925209 0.425209 0.074791 C\n0.425209 0.074791 0.925209 C\n0.074791 0.925209 0.425209 C\n0.574791 0.574791 0.574791 C\n0.388173 0.888173 0.611827 N\n0.888173 0.611827 0.388173 N\n0.611827 0.388173 0.888173 N\n0.111827 0.111827 0.111827 N\n",
"nsites": 12,
"nelements": 3,
"elements": [
"H",
"C",
"N"
],
"chemical_system": "C-H-N",
"density": 2.7482982839372436,
"density_atomic": 0.18372356227957995,
"volume": 65.3155199643859,
"volume_molar": 3.2778271253176836,
"formula_full": "H4 C4 N4",
"formula_reduced": "HCN",
"formula_anonymous": "ABC",
"energy": -82.46050892000001,
"energy_per_atom": -6.871709076666668,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -81.01650892,
"band_gap": 3.6401,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012936,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:25.302000Z",
"spacegroup": 198
},
{
"id": "mp-563",
"created_at": "2022-09-04T14:44:56.223572Z",
"structure_string": "C6 N8\n1.0\n0.000000 3.391248 3.391248\n3.391248 0.000000 3.391248\n3.391248 3.391248 0.000000\nC N\n6 8\ndirect\n0.000000 0.000000 0.000000 C\n0.250000 0.250000 0.250000 C\n0.625000 0.125000 0.625000 C\n0.625000 0.625000 0.125000 C\n0.125000 0.625000 0.625000 C\n0.625000 0.625000 0.625000 C\n0.869142 0.392574 0.869142 N\n0.380858 0.380858 0.857426 N\n0.857426 0.380858 0.380858 N\n0.380858 0.380858 0.380858 N\n0.392574 0.869142 0.869142 N\n0.869142 0.869142 0.869142 N\n0.869142 0.869142 0.392574 N\n0.380858 0.857426 0.380858 N\n",
"nsites": 14,
"nelements": 2,
"elements": [
"C",
"N"
],
"chemical_system": "C-N",
"density": 3.919550161284183,
"density_atomic": 0.17948137504036854,
"volume": 78.00252252831889,
"volume_molar": 3.3553012164329106,
"formula_full": "C6 N8",
"formula_reduced": "C3N4",
"formula_anonymous": "A3B4",
"energy": -100.89763803,
"energy_per_atom": -7.206974144999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -98.00963803,
"band_gap": 0.873800000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004373,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:42.853000Z",
"spacegroup": 227
},
{
"id": "mp-998866",
"created_at": "2022-09-04T14:41:03.656770Z",
"structure_string": "C1\n1.0\n1.776060 0.000000 0.000000\n0.000000 1.776060 0.000000\n0.000000 0.000000 1.776060\nC\n1\ndirect\n0.000000 0.000000 0.000000 C\n",
"nsites": 1,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 3.5599550713415904,
"density_atomic": 0.1784954294612604,
"volume": 5.602384346861016,
"volume_molar": 3.3738347128417705,
"formula_full": "C1",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -6.47199271,
"energy_per_atom": -6.47199271,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.47199271,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010241,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:11.269000Z",
"spacegroup": 221
}
]
}