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=12110",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_uncorrected&page=12108",
"results": [
{
"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-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-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-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-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-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-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-1096715",
"created_at": "2022-09-04T14:40:35.975018Z",
"structure_string": "Mg2 Hg1 Rh1\n1.0\n-5.565944 6.100938 8.073201\n5.565944 -6.100938 8.073201\n5.565944 6.100938 -8.073201\nMg Hg Rh\n2 1 1\ndirect\n0.000000 0.224400 0.224400 Mg\n0.000000 0.775600 0.775600 Mg\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Hg",
"Rh"
],
"chemical_system": "Hg-Mg-Rh",
"density": 0.5331884163552526,
"density_atomic": 0.0036476972907295655,
"volume": 1096.582221931023,
"volume_molar": 165.09431238455448,
"formula_full": "Mg2 Hg1 Rh1",
"formula_reduced": "Mg2HgRh",
"formula_anonymous": "ABC2",
"energy": -5.32190057,
"energy_per_atom": -1.3304751425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.32190057,
"band_gap": 0.2186999999999996,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0000002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.825000Z",
"spacegroup": 71
},
{
"id": "mp-1093727",
"created_at": "2022-09-04T14:41:48.641620Z",
"structure_string": "Li1 Mg2 Au1\n1.0\n-5.534827 5.623704 7.949642\n5.534827 -5.623704 7.949642\n5.534827 5.623704 -7.949642\nLi Mg Au\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.260442 0.260442 Mg\n0.000000 0.739558 0.739558 Mg\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Au"
],
"chemical_system": "Au-Li-Mg",
"density": 0.42364943336941074,
"density_atomic": 0.0040413449751316105,
"volume": 989.7695011472599,
"volume_molar": 149.0132813965945,
"formula_full": "Li1 Mg2 Au1",
"formula_reduced": "LiMg2Au",
"formula_anonymous": "ABC2",
"energy": -5.31829493,
"energy_per_atom": -1.3295737325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.31829493,
"band_gap": 1.1865,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.92e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:29.365000Z",
"spacegroup": 71
},
{
"id": "mp-1186863",
"created_at": "2022-09-04T14:39:49.619028Z",
"structure_string": "Rb3 Nd1\n1.0\n-3.074328 3.074328 6.997882\n3.074328 -3.074328 6.997882\n3.074328 3.074328 -6.997882\nRb Nd\n3 1\ndirect\n0.500000 0.500000 0.000000 Rb\n0.750000 0.250000 0.500000 Rb\n0.250000 0.750000 0.500000 Rb\n0.000000 0.000000 0.000000 Nd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Nd"
],
"chemical_system": "Nd-Rb",
"density": 2.5146772387912804,
"density_atomic": 0.015119345239658388,
"volume": 264.56172119860776,
"volume_molar": 39.8306981191473,
"formula_full": "Rb3 Nd1",
"formula_reduced": "Rb3Nd",
"formula_anonymous": "AB3",
"energy": -5.30667613,
"energy_per_atom": -1.3266690325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.30667613,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.6851287,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:32.874000Z",
"spacegroup": 139
},
{
"id": "mp-1097274",
"created_at": "2022-09-04T14:44:16.471912Z",
"structure_string": "K2 Rb1 As1\n1.0\n-7.497178 7.570820 10.582790\n7.497178 -7.570820 10.582790\n7.497178 7.570820 -10.582790\nK Rb As\n2 1 1\ndirect\n0.208723 0.000000 0.208723 K\n0.791277 0.000000 0.791277 K\n0.500000 0.000000 0.500000 Rb\n0.000000 0.000000 0.000000 As\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Rb",
"As"
],
"chemical_system": "As-K-Rb",
"density": 0.16488955316591591,
"density_atomic": 0.0016647885447793327,
"volume": 2402.707546579256,
"volume_molar": 361.73607626536335,
"formula_full": "K2 Rb1 As1",
"formula_reduced": "K2RbAs",
"formula_anonymous": "ABC2",
"energy": -5.30441679,
"energy_per_atom": -1.3261041975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.30441679,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0168311,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:38.887000Z",
"spacegroup": 71
},
{
"id": "mp-1184035",
"created_at": "2022-09-04T14:41:12.567154Z",
"structure_string": "Cs1 Sr3\n1.0\n-3.184686 3.184686 6.219177\n3.184686 -3.184686 6.219177\n3.184686 3.184686 -6.219177\nCs Sr\n1 3\ndirect\n0.000000 0.000000 0.000000 Cs\n0.750000 0.250000 0.500000 Sr\n0.250000 0.750000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cs",
"Sr"
],
"chemical_system": "Cs-Sr",
"density": 2.604718721770386,
"density_atomic": 0.015853817166529973,
"volume": 252.3051677702365,
"volume_molar": 37.98543086969449,
"formula_full": "Cs1 Sr3",
"formula_reduced": "CsSr3",
"formula_anonymous": "AB3",
"energy": -5.30165618,
"energy_per_atom": -1.325414045,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.30165618,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0183881,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:15.039000Z",
"spacegroup": 139
}
]
}