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=-formula_anonymous&page=12179",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_anonymous&page=12177",
"results": [
{
"id": "mp-21",
"created_at": "2022-09-04T14:44:46.152862Z",
"structure_string": "Ca1\n1.0\n-2.192751 2.192751 2.192751\n2.192751 -2.192751 2.192751\n2.192751 2.192751 -2.192751\nCa\n1\ndirect\n0.000000 0.000000 0.000000 Ca\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ca"
],
"chemical_system": "Ca",
"density": 1.5780733797530162,
"density_atomic": 0.023712211252472085,
"volume": 42.17236382354456,
"volume_molar": 25.396791112731712,
"formula_full": "Ca1",
"formula_reduced": "Ca",
"formula_anonymous": "A",
"energy": -1.98205783,
"energy_per_atom": -1.98205783,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.98205783,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009681,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:42.592000Z",
"spacegroup": 229
},
{
"id": "mp-130",
"created_at": "2022-09-04T14:45:02.839716Z",
"structure_string": "P2\n1.0\n3.263180 -1.744436 0.000000\n3.263180 1.744436 0.000000\n2.330637 0.000000 2.873940\nP\n2\ndirect\n0.227773 0.227773 0.227773 P\n0.772227 0.772227 0.772227 P\n",
"nsites": 2,
"nelements": 1,
"elements": [
"P"
],
"chemical_system": "P",
"density": 3.1439040720436666,
"density_atomic": 0.06112603585036584,
"volume": 32.71928192588707,
"volume_molar": 9.852006066190791,
"formula_full": "P2",
"formula_reduced": "P",
"formula_anonymous": "A",
"energy": -10.6553366,
"energy_per_atom": -5.3276683,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.6553366,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:50.871000Z",
"spacegroup": 166
},
{
"id": "mp-1080694",
"created_at": "2022-09-04T14:45:00.054671Z",
"structure_string": "Os8\n1.0\n5.158646 0.000000 0.000000\n0.000000 4.669927 0.000000\n-1.420754 0.000000 4.946648\nOs\n8\ndirect\n0.391948 0.340406 0.791698 Os\n0.608052 0.840406 0.708302 Os\n0.608052 0.659594 0.208302 Os\n0.391948 0.159594 0.291698 Os\n0.861196 0.344294 0.640014 Os\n0.138804 0.844294 0.859986 Os\n0.138804 0.655706 0.359986 Os\n0.861196 0.155706 0.140014 Os\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Os"
],
"chemical_system": "Os",
"density": 21.206122545991196,
"density_atomic": 0.06713255269405514,
"volume": 119.1672248254673,
"volume_molar": 8.970522523469132,
"formula_full": "Os8",
"formula_reduced": "Os",
"formula_anonymous": "A",
"energy": -87.9748755,
"energy_per_atom": -10.9968594375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -87.9748755,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0023013,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:47.995000Z",
"spacegroup": 14
},
{
"id": "mp-21462",
"created_at": "2022-09-04T14:44:59.829577Z",
"structure_string": "Eu2\n1.0\n2.025328 -3.507971 0.000000\n2.025328 3.507971 0.000000\n0.000000 0.000000 6.513786\nEu\n2\ndirect\n0.333333 0.666667 0.250000 Eu\n0.666667 0.333333 0.750000 Eu\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Eu"
],
"chemical_system": "Eu",
"density": 5.452616661628094,
"density_atomic": 0.02160802891342242,
"volume": 92.55818788532096,
"volume_molar": 27.869921796796483,
"formula_full": "Eu2",
"formula_reduced": "Eu",
"formula_anonymous": "A",
"energy": -20.49290429,
"energy_per_atom": -10.246452145,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.49290429,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.8417364,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:50.441000Z",
"spacegroup": 194
},
{
"id": "mp-1094075",
"created_at": "2022-09-04T14:45:00.511719Z",
"structure_string": "P10\n1.0\n19.809882 0.000000 0.000000\n0.000000 5.598318 0.000000\n0.000000 1.527253 6.157634\nP\n10\ndirect\n0.587234 0.853903 0.692006 P\n0.556863 0.828163 0.361585 P\n0.443137 0.828163 0.361585 P\n0.412766 0.853903 0.692006 P\n0.500000 0.776403 0.916956 P\n0.413233 0.452761 0.327781 P\n0.442236 0.248660 0.658664 P\n0.557764 0.248660 0.658664 P\n0.586767 0.452761 0.327781 P\n0.500000 0.385985 0.120962 P\n",
"nsites": 10,
"nelements": 1,
"elements": [
"P"
],
"chemical_system": "P",
"density": 0.7531643069387214,
"density_atomic": 0.014643560163470785,
"volume": 682.8940427305091,
"volume_molar": 41.1248404948858,
"formula_full": "P10",
"formula_reduced": "P",
"formula_anonymous": "A",
"energy": -53.45582629,
"energy_per_atom": -5.345582629,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -53.45582629,
"band_gap": 1.3058999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003373,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:46.809000Z",
"spacegroup": 6
},
{
"id": "mp-973986",
"created_at": "2022-09-04T14:44:55.030549Z",
"structure_string": "Ho4\n1.0\n1.770124 -3.065945 0.000000\n1.770124 3.065945 0.000000\n0.000000 0.000000 11.426988\nHo\n4\ndirect\n0.000000 0.000000 0.000000 Ho\n0.333333 0.666667 0.250000 Ho\n0.000000 0.000000 0.500000 Ho\n0.666667 0.333333 0.750000 Ho\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Ho"
],
"chemical_system": "Ho",
"density": 8.832421234737389,
"density_atomic": 0.032250033799475386,
"volume": 124.03087776190388,
"volume_molar": 18.673285111713472,
"formula_full": "Ho4",
"formula_reduced": "Ho",
"formula_anonymous": "A",
"energy": -18.30788468,
"energy_per_atom": -4.57697117,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.30788468,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0024091,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:48.283000Z",
"spacegroup": 194
},
{
"id": "mp-135",
"created_at": "2022-09-04T14:45:03.944801Z",
"structure_string": "Li1\n1.0\n-1.713409 1.713409 1.713409\n1.713409 -1.713409 1.713409\n1.713409 1.713409 -1.713409\nLi\n1\ndirect\n0.000000 0.000000 0.000000 Li\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Li"
],
"chemical_system": "Li",
"density": 0.5728329870110183,
"density_atomic": 0.04970005591332286,
"volume": 20.120701709953906,
"volume_molar": 12.116969788731513,
"formula_full": "Li1",
"formula_reduced": "Li",
"formula_anonymous": "A",
"energy": -1.90379596,
"energy_per_atom": -1.90379596,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.90379596,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001077,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:52.373000Z",
"spacegroup": 229
},
{
"id": "mp-1224349",
"created_at": "2022-09-04T14:44:50.483390Z",
"structure_string": "Ge1\n1.0\n1.397149 -2.600516 0.000000\n1.397149 2.600516 0.000000\n0.000000 0.000000 2.698231\nGe\n1\ndirect\n0.500000 0.500000 0.000000 Ge\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ge"
],
"chemical_system": "Ge",
"density": 6.151960740616385,
"density_atomic": 0.05100216622079943,
"volume": 19.607010331106004,
"volume_molar": 11.807617609669457,
"formula_full": "Ge1",
"formula_reduced": "Ge",
"formula_anonymous": "A",
"energy": -4.37127396,
"energy_per_atom": -4.37127396,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.37127396,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012313,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:45.818000Z",
"spacegroup": 65
},
{
"id": "mp-1190171",
"created_at": "2022-09-04T14:48:28.630528Z",
"structure_string": "C16\n1.0\n2.526018 0.000000 0.000000\n0.000000 4.159595 0.000000\n0.000000 0.000000 9.072088\nC\n16\ndirect\n0.750000 0.423520 0.695227 C\n0.750000 0.076480 0.195227 C\n0.250000 0.576480 0.304773 C\n0.250000 0.923520 0.804773 C\n0.250000 0.198409 0.689480 C\n0.250000 0.301591 0.189480 C\n0.750000 0.801591 0.310520 C\n0.750000 0.698409 0.810520 C\n0.250000 0.408205 0.020556 C\n0.250000 0.091795 0.520556 C\n0.750000 0.591795 0.979444 C\n0.750000 0.908205 0.479444 C\n0.250000 0.068374 0.963167 C\n0.250000 0.431626 0.463167 C\n0.750000 0.931626 0.036833 C\n0.750000 0.568374 0.536833 C\n",
"nsites": 16,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 3.3476701266416686,
"density_atomic": 0.16785150513833555,
"volume": 95.3223504717073,
"volume_molar": 3.5877788257167107,
"formula_full": "C16",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -142.97592617,
"energy_per_atom": -8.935995385625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -142.97592617,
"band_gap": 4.3505,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013137,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:46.210000Z",
"spacegroup": 62
},
{
"id": "mp-632286",
"created_at": "2022-09-04T14:48:23.896242Z",
"structure_string": "Sb2\n1.0\n4.343764 0.000000 0.000000\n0.000000 3.164641 0.000000\n0.000000 0.127652 4.405890\nSb\n2\ndirect\n0.750000 0.043352 0.763535 Sb\n0.250000 0.956648 0.236465 Sb\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Sb"
],
"chemical_system": "Sb",
"density": 6.676662298315999,
"density_atomic": 0.033022174918970935,
"volume": 60.56536266637659,
"volume_molar": 18.236656957868437,
"formula_full": "Sb2",
"formula_reduced": "Sb",
"formula_anonymous": "A",
"energy": -8.14023186,
"energy_per_atom": -4.07011593,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.14023186,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003521,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:55.648000Z",
"spacegroup": 11
},
{
"id": "mp-1094120",
"created_at": "2022-09-04T14:48:26.115343Z",
"structure_string": "Nb12\n1.0\n5.374343 0.000000 0.000000\n-1.516425 6.770262 0.000000\n-2.292508 -2.725628 6.234305\nNb\n12\ndirect\n0.069490 0.140393 0.503316 Nb\n0.509667 0.212573 0.340606 Nb\n0.072719 0.731441 0.133756 Nb\n0.046112 0.405816 0.262338 Nb\n0.024193 0.983918 0.882255 Nb\n0.596368 0.925967 0.050041 Nb\n0.683872 0.720414 0.393695 Nb\n0.054694 0.564241 0.697763 Nb\n0.553340 0.563811 0.699148 Nb\n0.428080 0.395001 0.998307 Nb\n0.771339 0.251176 0.789395 Nb\n0.336504 0.880067 0.604147 Nb\n",
"nsites": 12,
"nelements": 1,
"elements": [
"Nb"
],
"chemical_system": "Nb",
"density": 8.161255619756384,
"density_atomic": 0.052900812772490494,
"volume": 226.83961495276392,
"volume_molar": 11.383834093247875,
"formula_full": "Nb12",
"formula_reduced": "Nb",
"formula_anonymous": "A",
"energy": -118.93868106,
"energy_per_atom": -9.911556755,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -118.93868106,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001198,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:08.583000Z",
"spacegroup": 1
},
{
"id": "mp-567337",
"created_at": "2022-09-04T14:48:26.246042Z",
"structure_string": "Li8\n1.0\n-3.430450 3.430450 3.430450\n3.430450 -3.430450 3.430450\n3.430450 3.430450 -3.430450\nLi\n8\ndirect\n0.011942 0.500000 0.000000 Li\n0.000000 0.011942 0.500000 Li\n0.988058 0.988058 0.988058 Li\n0.000000 0.511942 0.500000 Li\n0.511942 0.500000 0.000000 Li\n0.488058 0.488058 0.488058 Li\n0.500000 0.000000 0.011942 Li\n0.500000 0.000000 0.511942 Li\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Li"
],
"chemical_system": "Li",
"density": 0.5710154463801983,
"density_atomic": 0.04954236270600979,
"volume": 161.4779667952645,
"volume_molar": 12.155538070996112,
"formula_full": "Li8",
"formula_reduced": "Li",
"formula_anonymous": "A",
"energy": -15.18856493,
"energy_per_atom": -1.89857061625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.18856493,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.85e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:09.726000Z",
"spacegroup": 220
}
]
}