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=39",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nelements&page=37",
"results": [
{
"id": "mp-1271142",
"created_at": "2022-09-04T14:43:52.078851Z",
"structure_string": "Co4\n1.0\n-1.243085 2.154006 0.000089\n-0.000286 0.000165 8.126579\n2.486967 0.000460 -0.000089\nCo\n4\ndirect\n0.666705 0.630029 0.333295 Co\n0.333296 0.870179 0.666704 Co\n0.666705 0.129832 0.333295 Co\n0.333294 0.369960 0.666706 Co\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Co"
],
"chemical_system": "Co",
"density": 8.99079359563772,
"density_atomic": 0.09187322118841143,
"volume": 43.53825791953996,
"volume_molar": 6.55483794091636,
"formula_full": "Co4",
"formula_reduced": "Co",
"formula_anonymous": "A",
"energy": -28.39269147,
"energy_per_atom": -7.0981728675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.39269147,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.3527117,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:20.828000Z",
"spacegroup": 164
},
{
"id": "mp-1056418",
"created_at": "2022-09-04T14:43:55.002134Z",
"structure_string": "Sr1\n1.0\n5.170111 -8.954895 0.000000\n5.170111 8.954895 0.000000\n0.000000 0.000000 4.600698\nSr\n1\ndirect\n0.000000 0.000000 0.000000 Sr\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Sr"
],
"chemical_system": "Sr",
"density": 0.3415373931520808,
"density_atomic": 0.0023473935826022274,
"volume": 426.0044022491702,
"volume_molar": 256.54584747241637,
"formula_full": "Sr1",
"formula_reduced": "Sr",
"formula_anonymous": "A",
"energy": -0.28976532,
"energy_per_atom": -0.28976532,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.28976532,
"band_gap": 0.3718999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.00039,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:23.624000Z",
"spacegroup": 191
},
{
"id": "mp-74",
"created_at": "2022-09-04T14:44:14.826248Z",
"structure_string": "Rh1\n1.0\n0.000000 1.921949 1.921949\n1.921949 0.000000 1.921949\n1.921949 1.921949 0.000000\nRh\n1\ndirect\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Rh"
],
"chemical_system": "Rh",
"density": 12.034612504828418,
"density_atomic": 0.07042784935807943,
"volume": 14.198928536290465,
"volume_molar": 8.550794628672195,
"formula_full": "Rh1",
"formula_reduced": "Rh",
"formula_anonymous": "A",
"energy": -7.36430787,
"energy_per_atom": -7.36430787,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.36430787,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0064721,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:37.841000Z",
"spacegroup": 225
},
{
"id": "mp-68",
"created_at": "2022-09-04T14:44:19.628212Z",
"structure_string": "Sm2\n1.0\n1.840855 -3.188455 0.000000\n1.840855 3.188455 0.000000\n0.000000 0.000000 5.850009\nSm\n2\ndirect\n0.333333 0.666667 0.250000 Sm\n0.666667 0.333333 0.750000 Sm\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Sm"
],
"chemical_system": "Sm",
"density": 7.271516716204516,
"density_atomic": 0.029123501741692925,
"volume": 68.67306060029242,
"volume_molar": 20.67794186774855,
"formula_full": "Sm2",
"formula_reduced": "Sm",
"formula_anonymous": "A",
"energy": -9.39304241,
"energy_per_atom": -4.696521205,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.39304241,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016447,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:23.012000Z",
"spacegroup": 194
},
{
"id": "mp-569423",
"created_at": "2022-09-04T14:44:25.283106Z",
"structure_string": "Ga6\n1.0\n-3.044339 3.044339 3.044339\n3.044339 -3.044339 3.044339\n3.044339 3.044339 -3.044339\nGa\n6\ndirect\n0.750000 0.875000 0.125000 Ga\n0.375000 0.250000 0.625000 Ga\n0.250000 0.625000 0.375000 Ga\n0.875000 0.125000 0.750000 Ga\n0.625000 0.375000 0.250000 Ga\n0.125000 0.750000 0.875000 Ga\n",
"nsites": 6,
"nelements": 1,
"elements": [
"Ga"
],
"chemical_system": "Ga",
"density": 6.155132240124962,
"density_atomic": 0.05316333599996591,
"volume": 112.85973476163812,
"volume_molar": 11.327620147847496,
"formula_full": "Ga6",
"formula_reduced": "Ga",
"formula_anonymous": "A",
"energy": -18.10051829,
"energy_per_atom": -3.0167530483333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.10051829,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009317,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:38.156000Z",
"spacegroup": 220
},
{
"id": "mp-8635",
"created_at": "2022-09-04T14:44:40.433193Z",
"structure_string": "Zr1\n1.0\n0.000000 2.268399 2.268399\n2.268399 0.000000 2.268399\n2.268399 2.268399 0.000000\nZr\n1\ndirect\n0.000000 0.000000 0.000000 Zr\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Zr"
],
"chemical_system": "Zr",
"density": 6.4888819257318415,
"density_atomic": 0.04283627153521132,
"volume": 23.344702145190254,
"volume_molar": 14.058508231860968,
"formula_full": "Zr1",
"formula_reduced": "Zr",
"formula_anonymous": "A",
"energy": -8.50843689,
"energy_per_atom": -8.50843689,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.50843689,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0025517,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:01.957000Z",
"spacegroup": 225
},
{
"id": "mp-67",
"created_at": "2022-09-04T14:45:05.794040Z",
"structure_string": "Sc2\n1.0\n1.659328 -2.874040 0.000000\n1.659328 2.874040 0.000000\n0.000000 0.000000 5.178040\nSc\n2\ndirect\n0.333333 0.666667 0.750000 Sc\n0.666667 0.333333 0.250000 Sc\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Sc"
],
"chemical_system": "Sc",
"density": 3.023050895931203,
"density_atomic": 0.0404957595482284,
"volume": 49.38788708526633,
"volume_molar": 14.871040393322998,
"formula_full": "Sc2",
"formula_reduced": "Sc",
"formula_anonymous": "A",
"energy": -12.66493821,
"energy_per_atom": -6.332469105,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.66493821,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.8552319,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:52.094000Z",
"spacegroup": 194
},
{
"id": "mp-632250",
"created_at": "2022-09-04T14:45:20.751634Z",
"structure_string": "H1\n1.0\n-2.605000 2.605000 2.605000\n2.605000 -2.605000 2.605000\n2.605000 2.605000 -2.605000\nH\n1\ndirect\n0.000000 0.000000 0.000000 H\n",
"nsites": 1,
"nelements": 1,
"elements": [
"H"
],
"chemical_system": "H",
"density": 0.023670127850447698,
"density_atomic": 0.014142195147712436,
"volume": 70.7103805,
"volume_molar": 42.58278645641592,
"formula_full": "H1",
"formula_reduced": "H",
"formula_anonymous": "A",
"energy": -1.12145603,
"energy_per_atom": -1.12145603,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.12145603,
"band_gap": 7.4222,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:02.478000Z",
"spacegroup": 229
},
{
"id": "mp-989737",
"created_at": "2022-09-04T14:45:14.737132Z",
"structure_string": "Ag3\n1.0\n7.254673 -1.473047 0.000000\n7.254673 1.473047 0.000000\n6.955573 0.000000 2.533800\nAg\n3\ndirect\n0.000000 0.000000 0.000000 Ag\n0.777719 0.777719 0.777719 Ag\n0.222281 0.222281 0.222281 Ag\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Ag"
],
"chemical_system": "Ag",
"density": 9.922634874594548,
"density_atomic": 0.055396774902653004,
"volume": 54.15477715574246,
"volume_molar": 10.87092302861045,
"formula_full": "Ag3",
"formula_reduced": "Ag",
"formula_anonymous": "A",
"energy": -8.49766801,
"energy_per_atom": -2.8325560033333335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.49766801,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004594,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:54.107000Z",
"spacegroup": 166
},
{
"id": "mp-166",
"created_at": "2022-09-04T14:45:15.332479Z",
"structure_string": "Ca1\n1.0\n-2.245020 2.245020 2.097502\n2.245020 -2.245020 2.097502\n2.245020 2.245020 -2.097502\nCa\n1\ndirect\n0.000000 0.000000 0.000000 Ca\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ca"
],
"chemical_system": "Ca",
"density": 1.5738101244536746,
"density_atomic": 0.023648151360468182,
"volume": 42.286603496274395,
"volume_molar": 25.465587851687253,
"formula_full": "Ca1",
"formula_reduced": "Ca",
"formula_anonymous": "A",
"energy": -1.98438209,
"energy_per_atom": -1.98438209,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.98438209,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002139,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:06.720000Z",
"spacegroup": 139
},
{
"id": "mp-24504",
"created_at": "2022-09-04T14:45:27.574732Z",
"structure_string": "H4\n1.0\n1.880977 -3.257948 0.000000\n1.880977 3.257948 0.000000\n0.000000 0.000000 4.534819\nH\n4\ndirect\n0.333333 0.666667 0.167317 H\n0.666667 0.333333 0.667317 H\n0.666667 0.333333 0.832683 H\n0.333333 0.666667 0.332683 H\n",
"nsites": 4,
"nelements": 1,
"elements": [
"H"
],
"chemical_system": "H",
"density": 0.12045537461066755,
"density_atomic": 0.07196849231647247,
"volume": 55.57987768328533,
"volume_molar": 8.367746170808173,
"formula_full": "H4",
"formula_reduced": "H",
"formula_anonymous": "A",
"energy": -13.57090418,
"energy_per_atom": -3.392726045,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.57090418,
"band_gap": 8.0699,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.89e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:00.218000Z",
"spacegroup": 194
},
{
"id": "mp-145",
"created_at": "2022-09-04T14:45:33.978925Z",
"structure_string": "Lu2\n1.0\n1.762419 -3.052599 0.000000\n1.762419 3.052599 0.000000\n0.000000 0.000000 5.470614\nLu\n2\ndirect\n0.333333 0.666667 0.250000 Lu\n0.666667 0.333333 0.750000 Lu\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Lu"
],
"chemical_system": "Lu",
"density": 9.871661309770055,
"density_atomic": 0.03397699792705217,
"volume": 58.86335232718187,
"volume_molar": 17.724169665988143,
"formula_full": "Lu2",
"formula_reduced": "Lu",
"formula_anonymous": "A",
"energy": -9.04190104,
"energy_per_atom": -4.52095052,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.04190104,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000939,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:08.779000Z",
"spacegroup": 194
}
]
}