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=11474",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_uncorrected&page=11472",
"results": [
{
"id": "mp-1016257",
"created_at": "2022-09-04T14:46:25.918413Z",
"structure_string": "Mg3 W1\n1.0\n2.854951 0.000000 0.000000\n0.000000 4.914685 0.000000\n0.000000 0.000000 5.394234\nMg W\n3 1\ndirect\n0.000000 0.000000 0.654382 Mg\n0.000000 0.500000 0.326867 Mg\n0.500000 0.500000 0.865095 Mg\n0.500000 0.000000 0.153657 W\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"W"
],
"chemical_system": "Mg-W",
"density": 5.633053536553452,
"density_atomic": 0.05284888912381651,
"volume": 75.68749440747257,
"volume_molar": 11.395018627337816,
"formula_full": "Mg3 W1",
"formula_reduced": "Mg3W",
"formula_anonymous": "AB3",
"energy": -15.96656208,
"energy_per_atom": -3.99164052,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.96656208,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012598,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:39.442000Z",
"spacegroup": 25
},
{
"id": "mp-1060281",
"created_at": "2022-09-04T14:46:38.475667Z",
"structure_string": "B1 N1\n1.0\n-2.390410 2.390410 1.309911\n2.390410 -2.390410 1.309911\n2.390410 2.390410 -1.309911\nB N\n1 1\ndirect\n0.000000 0.000000 0.000000 B\n0.500000 0.500000 0.000000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"B",
"N"
],
"chemical_system": "B-N",
"density": 1.3764614522857495,
"density_atomic": 0.066801070359005,
"volume": 29.93964002749536,
"volume_molar": 9.015036327465365,
"formula_full": "B1 N1",
"formula_reduced": "BN",
"formula_anonymous": "AB",
"energy": -16.32749539,
"energy_per_atom": -8.163747695,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.96649539,
"band_gap": 3.5086,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:43.713000Z",
"spacegroup": 139
},
{
"id": "mp-961693",
"created_at": "2022-09-04T14:44:16.518590Z",
"structure_string": "Zr1 In1 Au1\n1.0\n0.000000 3.262649 3.262649\n3.262649 0.000000 3.262649\n3.262649 3.262649 0.000000\nZr In Au\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 In\n0.750000 0.750000 0.750000 Au\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Zr",
"In",
"Au"
],
"chemical_system": "Au-In-Zr",
"density": 9.634347776679776,
"density_atomic": 0.0431897008586998,
"volume": 69.4610043680287,
"volume_molar": 13.943464854508122,
"formula_full": "Zr1 In1 Au1",
"formula_reduced": "ZrInAu",
"formula_anonymous": "ABC",
"energy": -15.96613387,
"energy_per_atom": -5.322044623333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.96613387,
"band_gap": 0.4412000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:39.922000Z",
"spacegroup": 216
},
{
"id": "mp-973847",
"created_at": "2022-09-04T14:46:55.616998Z",
"structure_string": "La2 Zn1 Ga1\n1.0\n0.000000 3.777704 3.777704\n3.777704 0.000000 3.777704\n3.777704 3.777704 0.000000\nLa Zn Ga\n2 1 1\ndirect\n0.750000 0.750000 0.750000 La\n0.250000 0.250000 0.250000 La\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Zn",
"Ga"
],
"chemical_system": "Ga-La-Zn",
"density": 6.359535108835059,
"density_atomic": 0.0370976344642692,
"volume": 107.82358653764362,
"volume_molar": 16.23322038444327,
"formula_full": "La2 Zn1 Ga1",
"formula_reduced": "La2ZnGa",
"formula_anonymous": "ABC2",
"energy": -15.96510551,
"energy_per_atom": -3.9912763775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.96510551,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0082836,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:46.863000Z",
"spacegroup": 225
},
{
"id": "mp-1186718",
"created_at": "2022-09-04T14:40:13.533597Z",
"structure_string": "Pr3 Mg1\n1.0\n-2.522214 2.522214 5.144237\n2.522214 -2.522214 5.144237\n2.522214 2.522214 -5.144237\nPr Mg\n3 1\ndirect\n0.500000 0.500000 0.000000 Pr\n0.750000 0.250000 0.500000 Pr\n0.250000 0.750000 0.500000 Pr\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pr",
"Mg"
],
"chemical_system": "Mg-Pr",
"density": 5.670729758349983,
"density_atomic": 0.03055731332101796,
"volume": 130.9015605520763,
"volume_molar": 19.70769058370667,
"formula_full": "Pr3 Mg1",
"formula_reduced": "Pr3Mg",
"formula_anonymous": "AB3",
"energy": -15.96405533,
"energy_per_atom": -3.9910138325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.96405533,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0251713,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:46.144000Z",
"spacegroup": 139
},
{
"id": "mp-862735",
"created_at": "2022-09-04T14:43:04.803095Z",
"structure_string": "Sm1 Ag2 Sn1\n1.0\n0.000000 3.557853 3.557853\n3.557853 0.000000 3.557853\n3.557853 3.557853 0.000000\nSm Ag Sn\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Sm\n0.750000 0.750000 0.750000 Ag\n0.250000 0.250000 0.250000 Ag\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sm",
"Ag",
"Sn"
],
"chemical_system": "Ag-Sm-Sn",
"density": 8.93765208932433,
"density_atomic": 0.04440848880247419,
"volume": 90.07286912625459,
"volume_molar": 13.560787413384084,
"formula_full": "Sm1 Ag2 Sn1",
"formula_reduced": "SmAg2Sn",
"formula_anonymous": "ABC2",
"energy": -15.96385667,
"energy_per_atom": -3.9909641675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.96385667,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.002253,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:03.370000Z",
"spacegroup": 225
},
{
"id": "mp-972536",
"created_at": "2022-09-04T14:47:11.289755Z",
"structure_string": "Sm2 Tl1 Ag1\n1.0\n0.000000 3.803640 3.803640\n3.803640 0.000000 3.803640\n3.803640 3.803640 0.000000\nSm Tl Ag\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sm\n0.750000 0.750000 0.750000 Sm\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sm",
"Tl",
"Ag"
],
"chemical_system": "Ag-Sm-Tl",
"density": 9.248284189227537,
"density_atomic": 0.036343920848037815,
"volume": 110.0596717873371,
"volume_molar": 16.56987088756862,
"formula_full": "Sm2 Tl1 Ag1",
"formula_reduced": "Sm2TlAg",
"formula_anonymous": "ABC2",
"energy": -15.96001791,
"energy_per_atom": -3.9900044775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.96001791,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0530789,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:00.040000Z",
"spacegroup": 225
},
{
"id": "mp-1072794",
"created_at": "2022-09-04T14:46:11.623851Z",
"structure_string": "Ca2 Zn2 Pb2\n1.0\n2.394462 -4.147329 0.000000\n2.394462 4.147329 0.000000\n0.000000 0.000000 7.924434\nCa Zn Pb\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.333333 0.666667 0.750000 Zn\n0.666667 0.333333 0.250000 Zn\n0.333333 0.666667 0.250000 Pb\n0.666667 0.333333 0.750000 Pb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Zn",
"Pb"
],
"chemical_system": "Ca-Pb-Zn",
"density": 6.598029194659168,
"density_atomic": 0.03812207788864736,
"volume": 157.38911235441293,
"volume_molar": 15.796989811495493,
"formula_full": "Ca2 Zn2 Pb2",
"formula_reduced": "CaZnPb",
"formula_anonymous": "ABC",
"energy": -15.959767460000002,
"energy_per_atom": -2.6599612433333335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.959767460000002,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013911,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:28.604000Z",
"spacegroup": 194
},
{
"id": "mp-866017",
"created_at": "2022-09-04T14:41:32.770550Z",
"structure_string": "Li1 Nd2 Al1\n1.0\n0.000000 3.749155 3.749155\n3.749155 0.000000 3.749155\n3.749155 3.749155 0.000000\nLi Nd Al\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.250000 0.250000 0.250000 Nd\n0.750000 0.750000 0.750000 Nd\n0.500000 0.500000 0.500000 Al\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Nd",
"Al"
],
"chemical_system": "Al-Li-Nd",
"density": 5.079520948560387,
"density_atomic": 0.037951575410351164,
"volume": 105.3974691893558,
"volume_molar": 15.867959880151595,
"formula_full": "Li1 Nd2 Al1",
"formula_reduced": "LiNd2Al",
"formula_anonymous": "ABC2",
"energy": -15.95958858,
"energy_per_atom": -3.989897145,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.95958858,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0033036,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:22.701000Z",
"spacegroup": 225
},
{
"id": "mp-1097357",
"created_at": "2022-09-04T14:45:02.155657Z",
"structure_string": "Y2 Cu1 Pt1\n1.0\n-5.230039 5.864025 8.251187\n5.230039 -5.864025 8.251187\n5.230039 5.864025 -8.251187\nY Cu Pt\n2 1 1\ndirect\n0.000000 0.261899 0.261899 Y\n0.000000 0.738101 0.738101 Y\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Cu",
"Pt"
],
"chemical_system": "Cu-Pt-Y",
"density": 0.7159755216033526,
"density_atomic": 0.003951689651378266,
"volume": 1012.225238539389,
"volume_molar": 152.39407168271944,
"formula_full": "Y2 Cu1 Pt1",
"formula_reduced": "Y2CuPt",
"formula_anonymous": "ABC2",
"energy": -15.95894779,
"energy_per_atom": -3.9897369475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.95894779,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.7824035,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:47.001000Z",
"spacegroup": 71
},
{
"id": "mp-1219836",
"created_at": "2022-09-04T14:48:26.542655Z",
"structure_string": "Pr2 Y1\n1.0\n9.113286 -1.833842 0.000000\n9.113286 1.833842 0.000000\n8.744267 0.000000 3.154798\nPr Y\n2 1\ndirect\n0.775078 0.775078 0.775078 Pr\n0.224922 0.224922 0.224922 Pr\n0.000000 0.000000 0.000000 Y\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Pr",
"Y"
],
"chemical_system": "Pr-Y",
"density": 5.837918042928192,
"density_atomic": 0.02845003384242312,
"volume": 105.4480292226073,
"volume_molar": 21.16742916143782,
"formula_full": "Pr2 Y1",
"formula_reduced": "Pr2Y",
"formula_anonymous": "AB2",
"energy": -15.95840158,
"energy_per_atom": -5.319467193333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.95840158,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0804002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:37.754000Z",
"spacegroup": 166
},
{
"id": "mp-862667",
"created_at": "2022-09-04T14:41:33.928706Z",
"structure_string": "Li1 Ac2 Ge1\n1.0\n0.000000 3.910681 3.910681\n3.910681 0.000000 3.910681\n3.910681 3.910681 0.000000\nLi Ac Ge\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.750000 0.750000 0.750000 Ac\n0.250000 0.250000 0.250000 Ac\n0.500000 0.500000 0.500000 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ac",
"Ge"
],
"chemical_system": "Ac-Ge-Li",
"density": 7.407340084353647,
"density_atomic": 0.03344050456113207,
"volume": 119.6154200570647,
"volume_molar": 18.008522416254273,
"formula_full": "Li1 Ac2 Ge1",
"formula_reduced": "LiAc2Ge",
"formula_anonymous": "ABC2",
"energy": -15.9577355,
"energy_per_atom": -3.989433875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.9577355,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003754,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:27.333000Z",
"spacegroup": 225
}
]
}