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=-energy_uncorrected&page=87",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_uncorrected&page=85",
"results": [
{
"id": "mp-1097275",
"created_at": "2022-09-04T14:43:13.411192Z",
"structure_string": "Na1 Cd1 Pb2\n1.0\n-5.937510 6.361728 9.205586\n5.937510 -6.361728 9.205586\n5.937510 6.361728 -9.205586\nNa Cd Pb\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Cd\n0.000000 0.261256 0.261256 Pb\n0.000000 0.738744 0.738744 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Cd",
"Pb"
],
"chemical_system": "Cd-Na-Pb",
"density": 0.6563924227588157,
"density_atomic": 0.0028758690681307078,
"volume": 1390.8839050868087,
"volume_molar": 209.40246643128106,
"formula_full": "Na1 Cd1 Pb2",
"formula_reduced": "NaCdPb2",
"formula_anonymous": "ABC2",
"energy": -5.32665961,
"energy_per_atom": -1.3316649025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.32665961,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0030648,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:06.083000Z",
"spacegroup": 71
},
{
"id": "mp-1057787",
"created_at": "2022-09-04T14:47:27.773762Z",
"structure_string": "K1 P1\n1.0\n-2.335702 2.414504 3.354271\n2.335702 -2.414504 3.354271\n2.335702 2.414504 -3.354271\nK P\n1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.000000 P\n",
"nsites": 2,
"nelements": 2,
"elements": [
"K",
"P"
],
"chemical_system": "K-P",
"density": 1.5377668499883854,
"density_atomic": 0.0264317851239832,
"volume": 75.66647468639096,
"volume_molar": 22.783708068721158,
"formula_full": "K1 P1",
"formula_reduced": "KP",
"formula_anonymous": "AB",
"energy": -5.33013237,
"energy_per_atom": -2.665066185,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.33013237,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9994857,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:09.359000Z",
"spacegroup": 71
},
{
"id": "mp-1058315",
"created_at": "2022-09-04T14:46:05.062584Z",
"structure_string": "K1 P1\n1.0\n4.197249 -2.348939 0.000000\n4.197249 2.348939 0.000000\n2.882695 0.000000 3.850258\nK P\n1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 P\n",
"nsites": 2,
"nelements": 2,
"elements": [
"K",
"P"
],
"chemical_system": "K-P",
"density": 1.532631313715619,
"density_atomic": 0.026343513360770718,
"volume": 75.92001767608902,
"volume_molar": 22.860051647354805,
"formula_full": "K1 P1",
"formula_reduced": "KP",
"formula_anonymous": "AB",
"energy": -5.33052563,
"energy_per_atom": -2.665262815,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.33052563,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9999575,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:16.918000Z",
"spacegroup": 166
},
{
"id": "mp-1180622",
"created_at": "2022-09-04T14:39:37.154616Z",
"structure_string": "K1 P1\n1.0\n0.000000 3.366050 3.366050\n3.366050 0.000000 3.366050\n3.366050 3.366050 0.000000\nK P\n1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 P\n",
"nsites": 2,
"nelements": 2,
"elements": [
"K",
"P"
],
"chemical_system": "K-P",
"density": 1.52546522241841,
"density_atomic": 0.026220339561473315,
"volume": 76.27666282929025,
"volume_molar": 22.967440013052283,
"formula_full": "K1 P1",
"formula_reduced": "KP",
"formula_anonymous": "AB",
"energy": -5.33114757,
"energy_per_atom": -2.665573785,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.33114757,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9998611,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:31.810000Z",
"spacegroup": 225
},
{
"id": "mp-1094920",
"created_at": "2022-09-04T14:43:13.960550Z",
"structure_string": "Mg1 Zn3\n1.0\n1.488605 -2.578339 0.000000\n1.488605 2.578339 0.000000\n0.000000 0.000000 8.778603\nMg Zn\n1 3\ndirect\n0.666667 0.333333 0.500000 Mg\n0.666667 0.333333 0.000000 Zn\n0.000000 0.000000 0.759833 Zn\n0.000000 0.000000 0.240167 Zn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Zn"
],
"chemical_system": "Mg-Zn",
"density": 5.434327624389002,
"density_atomic": 0.05935879763723447,
"volume": 67.3868096932423,
"volume_molar": 10.14532133350094,
"formula_full": "Mg1 Zn3",
"formula_reduced": "MgZn3",
"formula_anonymous": "AB3",
"energy": -5.33308937,
"energy_per_atom": -1.3332723425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.33308937,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.68e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:10.775000Z",
"spacegroup": 187
},
{
"id": "mp-973940",
"created_at": "2022-09-04T14:39:16.385249Z",
"structure_string": "Li1 Cd3\n1.0\n0.000000 3.449262 3.449262\n3.449262 0.000000 3.449262\n3.449262 3.449262 0.000000\nLi Cd\n1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.250000 0.250000 0.250000 Cd\n0.750000 0.750000 0.750000 Cd\n0.500000 0.500000 0.500000 Cd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"Cd"
],
"chemical_system": "Cd-Li",
"density": 6.963356167549241,
"density_atomic": 0.048736175327000045,
"volume": 82.07455700332692,
"volume_molar": 12.356613377216963,
"formula_full": "Li1 Cd3",
"formula_reduced": "LiCd3",
"formula_anonymous": "AB3",
"energy": -5.33491021,
"energy_per_atom": -1.3337275525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.33491021,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010151,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:34.171000Z",
"spacegroup": 225
},
{
"id": "mp-1061530",
"created_at": "2022-09-04T14:39:12.704043Z",
"structure_string": "Rb1 Se1\n1.0\n0.000000 3.536012 3.536012\n3.536012 0.000000 3.536012\n3.536012 3.536012 0.000000\nRb Se\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Se\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Rb",
"Se"
],
"chemical_system": "Rb-Se",
"density": 3.0878284003589633,
"density_atomic": 0.022618240073896824,
"volume": 88.4242095523671,
"volume_molar": 26.62515182580457,
"formula_full": "Rb1 Se1",
"formula_reduced": "RbSe",
"formula_anonymous": "AB",
"energy": -5.818438759999999,
"energy_per_atom": -2.9092193799999997,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.34643876,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0000297,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:24.325000Z",
"spacegroup": 225
},
{
"id": "mp-1039141",
"created_at": "2022-09-04T14:45:40.129974Z",
"structure_string": "Mg1 Al1\n1.0\n3.014748 0.000000 0.000000\n0.000000 3.014748 0.000000\n0.000000 0.000000 4.232420\nMg Al\n1 1\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Al\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mg",
"Al"
],
"chemical_system": "Al-Mg",
"density": 2.213918844848538,
"density_atomic": 0.05199232111758048,
"volume": 38.4672189471404,
"volume_molar": 11.582750357270927,
"formula_full": "Mg1 Al1",
"formula_reduced": "MgAl",
"formula_anonymous": "AB",
"energy": -5.34736822,
"energy_per_atom": -2.67368411,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.34736822,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:08.493000Z",
"spacegroup": 123
},
{
"id": "mp-2176",
"created_at": "2022-09-04T14:46:20.658655Z",
"structure_string": "Zn1 Te1\n1.0\n0.000000 3.092413 3.092413\n3.092413 0.000000 3.092413\n3.092413 3.092413 0.000000\nZn Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Zn\n0.750000 0.750000 0.750000 Te\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zn",
"Te"
],
"chemical_system": "Te-Zn",
"density": 5.4188133427036975,
"density_atomic": 0.03381485496863358,
"volume": 59.14560337032898,
"volume_molar": 17.809157441562576,
"formula_full": "Zn1 Te1",
"formula_reduced": "ZnTe",
"formula_anonymous": "AB",
"energy": -5.7713586,
"energy_per_atom": -2.8856793,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.3493586,
"band_gap": 1.0732999999999997,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:23.789000Z",
"spacegroup": 216
},
{
"id": "mp-1097250",
"created_at": "2022-09-04T14:48:18.090521Z",
"structure_string": "Hf1 Mg1 Hg2\n1.0\n-5.791838 5.956809 8.422881\n5.791838 -5.956809 8.422881\n5.791838 5.956809 -8.422881\nHf Mg Hg\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Mg\n0.000000 0.250392 0.250392 Hg\n0.000000 0.749608 0.749608 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Mg",
"Hg"
],
"chemical_system": "Hf-Hg-Mg",
"density": 0.8628142768022389,
"density_atomic": 0.0034411947689466003,
"volume": 1162.3869814333289,
"volume_molar": 175.00145049457532,
"formula_full": "Hf1 Mg1 Hg2",
"formula_reduced": "HfMgHg2",
"formula_anonymous": "ABC2",
"energy": -5.35087006,
"energy_per_atom": -1.337717515,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.35087006,
"band_gap": 0.4041999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0001312,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:01.941000Z",
"spacegroup": 71
},
{
"id": "mp-1093878",
"created_at": "2022-09-04T14:45:39.068090Z",
"structure_string": "Mg1 Zn2 Rh1\n1.0\n-5.270626 5.558282 7.693747\n5.270626 -5.558282 7.693747\n5.270626 5.558282 -7.693747\nMg Zn Rh\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.269709 0.269709 Zn\n0.000000 0.730291 0.730291 Zn\n0.000000 0.500000 0.500000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Zn",
"Rh"
],
"chemical_system": "Mg-Rh-Zn",
"density": 0.47524341269511716,
"density_atomic": 0.004436692423514158,
"volume": 901.5725270474649,
"volume_molar": 135.7349165807185,
"formula_full": "Mg1 Zn2 Rh1",
"formula_reduced": "MgZn2Rh",
"formula_anonymous": "ABC2",
"energy": -5.35852613,
"energy_per_atom": -1.3396315325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.35852613,
"band_gap": 0.0945,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:18.609000Z",
"spacegroup": 71
},
{
"id": "mp-1185363",
"created_at": "2022-09-04T14:43:11.844503Z",
"structure_string": "Li1 Mg1 Hg2\n1.0\n0.000000 3.426346 3.426346\n3.426346 0.000000 3.426346\n3.426346 3.426346 0.000000\nLi Mg Hg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Hg"
],
"chemical_system": "Hg-Li-Mg",
"density": 8.925596497038184,
"density_atomic": 0.049720598197797665,
"volume": 80.44955501314095,
"volume_molar": 12.11196360921246,
"formula_full": "Li1 Mg1 Hg2",
"formula_reduced": "LiMgHg2",
"formula_anonymous": "ABC2",
"energy": -5.35991536,
"energy_per_atom": -1.33997884,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.35991536,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009931,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:00.324000Z",
"spacegroup": 225
}
]
}