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=density&page=104",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=density&page=102",
"results": [
{
"id": "mp-1093563",
"created_at": "2022-09-04T14:44:13.895351Z",
"structure_string": "Cs1 Rb1 Au2\n1.0\n-6.568763 6.701836 9.485725\n6.568763 -6.701836 9.485725\n6.568763 6.701836 -9.485725\nCs Rb Au\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Cs\n0.000000 0.000000 0.000000 Rb\n0.000000 0.245819 0.245819 Au\n0.000000 0.754181 0.754181 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cs",
"Rb",
"Au"
],
"chemical_system": "Au-Cs-Rb",
"density": 0.6087093587708534,
"density_atomic": 0.002394705331958333,
"volume": 1670.3516489558638,
"volume_molar": 251.47731871775798,
"formula_full": "Cs1 Rb1 Au2",
"formula_reduced": "CsRbAu2",
"formula_anonymous": "ABC2",
"energy": -7.99905708,
"energy_per_atom": -1.99976427,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.99905708,
"band_gap": 2.829,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.2e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:26.762000Z",
"spacegroup": 71
},
{
"id": "mp-1095863",
"created_at": "2022-09-04T14:39:15.734669Z",
"structure_string": "Mg1 In1 Cu2\n1.0\n-5.018380 5.098380 7.086176\n5.018380 -5.098380 7.086176\n5.018380 5.098380 -7.086176\nMg In Cu\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 In\n0.749564 0.000000 0.749564 Cu\n0.250436 0.000000 0.250436 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"In",
"Cu"
],
"chemical_system": "Cu-In-Mg",
"density": 0.6095564739979268,
"density_atomic": 0.005515594371246334,
"volume": 725.2164917805835,
"volume_molar": 109.18389487440143,
"formula_full": "Mg1 In1 Cu2",
"formula_reduced": "MgInCu2",
"formula_anonymous": "ABC2",
"energy": -7.18555249,
"energy_per_atom": -1.7963881225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.18555249,
"band_gap": 0.3763000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002197,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.974000Z",
"spacegroup": 71
},
{
"id": "mp-1093744",
"created_at": "2022-09-04T14:43:15.840836Z",
"structure_string": "Sc1 Ag2 Sn1\n1.0\n-5.408726 5.766432 8.279956\n5.408726 -5.766432 8.279956\n5.408726 5.766432 -8.279956\nSc Ag Sn\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.250087 0.250087 Ag\n0.000000 0.749913 0.749913 Ag\n0.000000 0.500000 0.500000 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Ag",
"Sn"
],
"chemical_system": "Ag-Sc-Sn",
"density": 0.6099003661903803,
"density_atomic": 0.0038723073000601995,
"volume": 1032.9758694352113,
"volume_molar": 155.51815218555558,
"formula_full": "Sc1 Ag2 Sn1",
"formula_reduced": "ScAg2Sn",
"formula_anonymous": "ABC2",
"energy": -9.21433796,
"energy_per_atom": -2.30358449,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.21433796,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.7249434,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:12.394000Z",
"spacegroup": 71
},
{
"id": "mp-1096331",
"created_at": "2022-09-04T14:42:12.618205Z",
"structure_string": "Y2 In1 Hg1\n1.0\n-6.107341 6.269156 8.767690\n6.107341 -6.269156 8.767690\n6.107341 6.269156 -8.767690\nY In Hg\n2 1 1\ndirect\n0.000000 0.246422 0.246422 Y\n0.000000 0.753578 0.753578 Y\n0.000000 0.000000 0.000000 In\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"In",
"Hg"
],
"chemical_system": "Hg-In-Y",
"density": 0.6099343447576779,
"density_atomic": 0.0029788838359525813,
"volume": 1342.7848215238942,
"volume_molar": 202.16098014020923,
"formula_full": "Y2 In1 Hg1",
"formula_reduced": "Y2InHg",
"formula_anonymous": "ABC2",
"energy": -8.48753065,
"energy_per_atom": -2.1218826625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.48753065,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0260732,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:47.921000Z",
"spacegroup": 71
},
{
"id": "mp-1097316",
"created_at": "2022-09-04T14:46:53.487070Z",
"structure_string": "Zr2 Mn1 Tc1\n1.0\n-4.672885 5.830367 8.373438\n4.672885 -5.830367 8.373438\n4.672885 5.830367 -8.373438\nZr Mn Tc\n2 1 1\ndirect\n0.000000 0.262009 0.262009 Zr\n0.000000 0.737991 0.737991 Zr\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Mn",
"Tc"
],
"chemical_system": "Mn-Tc-Zr",
"density": 0.6103083324325712,
"density_atomic": 0.004383441399513142,
"volume": 912.5250312332839,
"volume_molar": 137.38385462775582,
"formula_full": "Zr2 Mn1 Tc1",
"formula_reduced": "Zr2MnTc",
"formula_anonymous": "ABC2",
"energy": -23.04586184,
"energy_per_atom": -5.76146546,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.04586184,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.8404461,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:44.132000Z",
"spacegroup": 71
},
{
"id": "mp-1095731",
"created_at": "2022-09-04T14:40:57.110487Z",
"structure_string": "Li2 As1 Au1\n1.0\n-4.983596 5.245955 7.419106\n4.983596 -5.245955 7.419106\n4.983596 5.245955 -7.419106\nLi As Au\n2 1 1\ndirect\n0.000000 0.251812 0.251812 Li\n0.000000 0.748188 0.748188 Li\n0.000000 0.000000 0.000000 As\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"As",
"Au"
],
"chemical_system": "As-Au-Li",
"density": 0.6116275398903452,
"density_atomic": 0.0051556215990970645,
"volume": 775.852130168076,
"volume_molar": 116.8072684204499,
"formula_full": "Li2 As1 Au1",
"formula_reduced": "Li2AsAu",
"formula_anonymous": "ABC2",
"energy": -9.39843299,
"energy_per_atom": -2.3496082475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.39843299,
"band_gap": 1.3965000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9999709,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:00.189000Z",
"spacegroup": 71
},
{
"id": "mp-1188318",
"created_at": "2022-09-04T14:44:16.746575Z",
"structure_string": "Si2 H16\n1.0\n5.213467 0.000000 0.000000\n0.000000 5.221602 0.000000\n0.000000 0.000000 7.209817\nSi H\n2 16\ndirect\n0.247275 0.500000 0.858346 Si\n0.752725 0.000000 0.358346 Si\n0.481243 0.500000 0.977734 H\n0.518757 0.000000 0.477734 H\n0.013300 0.500000 0.977853 H\n0.986700 0.000000 0.477853 H\n0.247268 0.733247 0.738584 H\n0.247268 0.266753 0.738584 H\n0.752732 0.766753 0.238584 H\n0.752732 0.233247 0.238584 H\n0.288454 0.500000 0.310099 H\n0.711546 0.000000 0.810099 H\n0.222413 0.500000 0.403298 H\n0.777587 0.000000 0.903298 H\n0.761084 0.500000 0.655259 H\n0.238916 0.000000 0.155259 H\n0.708748 0.500000 0.558843 H\n0.291252 0.000000 0.058843 H\n",
"nsites": 18,
"nelements": 2,
"elements": [
"Si",
"H"
],
"chemical_system": "H-Si",
"density": 0.6116753577960788,
"density_atomic": 0.0917102481563785,
"volume": 196.27032269400843,
"volume_molar": 6.566486168188563,
"formula_full": "Si2 H16",
"formula_reduced": "SiH8",
"formula_anonymous": "AB8",
"energy": -67.53056011,
"energy_per_atom": -3.7516977838888885,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -64.80856011,
"band_gap": 7.028499999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003953,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:36.647000Z",
"spacegroup": 31
},
{
"id": "mp-1096019",
"created_at": "2022-09-04T14:48:17.813727Z",
"structure_string": "Sc2 In1 Os1\n1.0\n-5.248537 6.010855 8.495741\n5.248537 -6.010855 8.495741\n5.248537 6.010855 -8.495741\nSc In Os\n2 1 1\ndirect\n0.000000 0.286288 0.286288 Sc\n0.000000 0.713712 0.713712 Sc\n0.000000 0.000000 0.000000 In\n0.000000 0.500000 0.500000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"In",
"Os"
],
"chemical_system": "In-Os-Sc",
"density": 0.6117391115074318,
"density_atomic": 0.0037309911695405196,
"volume": 1072.1011705027995,
"volume_molar": 161.40860394321547,
"formula_full": "Sc2 In1 Os1",
"formula_reduced": "Sc2InOs",
"formula_anonymous": "ABC2",
"energy": -17.14294943,
"energy_per_atom": -4.2857373575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.14294943,
"band_gap": 0.1000999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.8372321,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:58.578000Z",
"spacegroup": 71
},
{
"id": "mp-1095804",
"created_at": "2022-09-04T14:39:22.453997Z",
"structure_string": "Nb1 Zn1 Ni2\n1.0\n-4.557784 5.385581 7.618146\n4.557784 -5.385581 7.618146\n4.557784 5.385581 -7.618146\nNb Zn Ni\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Nb\n0.000000 0.000000 0.000000 Zn\n0.000000 0.262915 0.262915 Ni\n0.000000 0.737085 0.737085 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Nb",
"Zn",
"Ni"
],
"chemical_system": "Nb-Ni-Zn",
"density": 0.6120595985297649,
"density_atomic": 0.0053476676276250044,
"volume": 747.9896430617308,
"volume_molar": 112.6124729384975,
"formula_full": "Nb1 Zn1 Ni2",
"formula_reduced": "NbZnNi2",
"formula_anonymous": "ABC2",
"energy": -12.49545347,
"energy_per_atom": -3.1238633675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.49545347,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:32.163000Z",
"spacegroup": 71
},
{
"id": "mp-1097674",
"created_at": "2022-09-04T14:41:58.250365Z",
"structure_string": "Mg1 As1 Pd2\n1.0\n-4.909365 5.537270 7.785624\n4.909365 -5.537270 7.785624\n4.909365 5.537270 -7.785624\nMg As Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 As\n0.000000 0.268236 0.268236 Pd\n0.000000 0.731764 0.731764 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"As",
"Pd"
],
"chemical_system": "As-Mg-Pd",
"density": 0.6120993902657108,
"density_atomic": 0.004724823084000836,
"volume": 846.5925451356629,
"volume_molar": 127.45748682934038,
"formula_full": "Mg1 As1 Pd2",
"formula_reduced": "MgAsPd2",
"formula_anonymous": "ABC2",
"energy": -11.12139342,
"energy_per_atom": -2.780348355,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.12139342,
"band_gap": 0.4189000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0001295,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:35.203000Z",
"spacegroup": 71
},
{
"id": "mp-1095880",
"created_at": "2022-09-04T14:40:03.447651Z",
"structure_string": "Cs1 Tl2 Bi1\n1.0\n-6.903154 7.266110 10.140206\n6.903154 -7.266110 10.140206\n6.903154 7.266110 -10.140206\nCs Tl Bi\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Cs\n0.000000 0.295546 0.295546 Tl\n0.000000 0.704454 0.704454 Tl\n0.000000 0.500000 0.500000 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cs",
"Tl",
"Bi"
],
"chemical_system": "Bi-Cs-Tl",
"density": 0.6126771810755407,
"density_atomic": 0.0019660913472342822,
"volume": 2034.4934662506066,
"volume_molar": 306.30015072653663,
"formula_full": "Cs1 Tl2 Bi1",
"formula_reduced": "CsTl2Bi",
"formula_anonymous": "ABC2",
"energy": -7.43958986,
"energy_per_atom": -1.859897465,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.43958986,
"band_gap": 1.018,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 3.73e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:45.654000Z",
"spacegroup": 71
},
{
"id": "mp-1097516",
"created_at": "2022-09-04T14:39:46.189037Z",
"structure_string": "Ba1 Sr1 Hg2\n1.0\n-6.600972 7.290481 8.813920\n6.600972 -7.290481 8.813920\n6.600972 7.290481 -8.813920\nBa Sr Hg\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Sr\n0.754763 0.000000 0.754763 Hg\n0.245237 0.000000 0.245237 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Sr",
"Hg"
],
"chemical_system": "Ba-Hg-Sr",
"density": 0.6127994414096205,
"density_atomic": 0.0023575820848443967,
"volume": 1696.6535442026848,
"volume_molar": 255.43716160353625,
"formula_full": "Ba1 Sr1 Hg2",
"formula_reduced": "BaSrHg2",
"formula_anonymous": "ABC2",
"energy": -1.09854174,
"energy_per_atom": -0.274635435,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.09854174,
"band_gap": 0.0135999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0619129,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.445000Z",
"spacegroup": 71
}
]
}