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=spacegroup&page=11485",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=spacegroup&page=11483",
"results": [
{
"id": "mp-1432",
"created_at": "2022-09-04T14:41:49.924353Z",
"structure_string": "Be2 B1\n1.0\n0.000000 2.284846 2.284846\n2.284846 0.000000 2.284846\n2.284846 2.284846 0.000000\nBe B\n2 1\ndirect\n0.750000 0.750000 0.750000 Be\n0.250000 0.250000 0.250000 Be\n0.000000 0.000000 0.000000 B\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Be",
"B"
],
"chemical_system": "B-Be",
"density": 2.0071218500498262,
"density_atomic": 0.12575360908551805,
"volume": 23.856174163239054,
"volume_molar": 4.788841293536693,
"formula_full": "Be2 B1",
"formula_reduced": "Be2B",
"formula_anonymous": "AB2",
"energy": -14.033739880000002,
"energy_per_atom": -4.677913293333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.033739880000002,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011811,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:30.399000Z",
"spacegroup": 225
},
{
"id": "mp-865652",
"created_at": "2022-09-04T14:41:49.998710Z",
"structure_string": "Ti1 Mn2 Si1\n1.0\n0.000000 2.896009 2.896009\n2.896009 0.000000 2.896009\n2.896009 2.896009 0.000000\nTi Mn Si\n1 2 1\ndirect\n0.749999 0.749999 0.749999 Ti\n0.000000 0.000000 0.000000 Mn\n0.500001 0.500001 0.500001 Mn\n0.250000 0.250000 0.250000 Si\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Mn",
"Si"
],
"chemical_system": "Mn-Si-Ti",
"density": 6.35231333270128,
"density_atomic": 0.08234368038711753,
"volume": 48.57689116147145,
"volume_molar": 7.313421906439524,
"formula_full": "Ti1 Mn2 Si1",
"formula_reduced": "TiMn2Si",
"formula_anonymous": "ABC2",
"energy": -33.67269598,
"energy_per_atom": -8.418173995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.74369598,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9967517,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:38.756000Z",
"spacegroup": 225
},
{
"id": "mp-1186957",
"created_at": "2022-09-04T14:41:49.970405Z",
"structure_string": "Sc2 Os1 Rh1\n1.0\n0.000000 3.227146 3.227146\n3.227146 0.000000 3.227146\n3.227146 3.227146 0.000000\nSc Os Rh\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sc\n0.750000 0.750000 0.750000 Sc\n0.500000 0.500000 0.500000 Os\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Os",
"Rh"
],
"chemical_system": "Os-Rh-Sc",
"density": 9.462713535365307,
"density_atomic": 0.05950783553963185,
"volume": 67.21803883013061,
"volume_molar": 10.119912286154808,
"formula_full": "Sc2 Os1 Rh1",
"formula_reduced": "Sc2OsRh",
"formula_anonymous": "ABC2",
"energy": -34.05754957,
"energy_per_atom": -8.5143873925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.05754957,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002416,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:30.763000Z",
"spacegroup": 225
},
{
"id": "mp-862445",
"created_at": "2022-09-04T14:42:08.686088Z",
"structure_string": "Ta1 Al1 Os2\n1.0\n0.000000 3.114582 3.114582\n3.114582 0.000000 3.114582\n3.114582 3.114582 0.000000\nTa Al Os\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.500000 Al\n0.250000 0.250000 0.250000 Os\n0.750000 0.750000 0.750000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Al",
"Os"
],
"chemical_system": "Al-Os-Ta",
"density": 16.169055346319784,
"density_atomic": 0.06619583847520814,
"volume": 60.42675932714549,
"volume_molar": 9.097461258467826,
"formula_full": "Ta1 Al1 Os2",
"formula_reduced": "TaAlOs2",
"formula_anonymous": "ABC2",
"energy": -40.26443746,
"energy_per_atom": -10.066109365,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.26443746,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006063,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:40.519000Z",
"spacegroup": 225
},
{
"id": "mp-1185843",
"created_at": "2022-09-04T14:41:50.101822Z",
"structure_string": "Mg1 Al1 Ni2\n1.0\n0.000000 2.948956 2.948956\n2.948956 0.000000 2.948956\n2.948956 2.948956 0.000000\nMg Al Ni\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Al\n0.250000 0.250000 0.250000 Ni\n0.750000 0.750000 0.750000 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Al",
"Ni"
],
"chemical_system": "Al-Mg-Ni",
"density": 5.4608552491699625,
"density_atomic": 0.07798752135887609,
"volume": 51.29025682959141,
"volume_molar": 7.721928656108769,
"formula_full": "Mg1 Al1 Ni2",
"formula_reduced": "MgAlNi2",
"formula_anonymous": "ABC2",
"energy": -18.58361429,
"energy_per_atom": -4.6459035725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.58361429,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0024331,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:32.462000Z",
"spacegroup": 225
},
{
"id": "mp-1183561",
"created_at": "2022-09-04T14:41:50.175461Z",
"structure_string": "Ca1 Ho1 Cd2\n1.0\n0.000000 3.773897 3.773897\n3.773897 0.000000 3.773897\n3.773897 3.773897 0.000000\nCa Ho Cd\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Ho\n0.750000 0.750000 0.750000 Cd\n0.250000 0.250000 0.250000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Ho",
"Cd"
],
"chemical_system": "Ca-Cd-Ho",
"density": 6.639662742719642,
"density_atomic": 0.03721001687307988,
"volume": 107.49793566726001,
"volume_molar": 16.18419249994161,
"formula_full": "Ca1 Ho1 Cd2",
"formula_reduced": "CaHoCd2",
"formula_anonymous": "ABC2",
"energy": -9.77514043,
"energy_per_atom": -2.4437851075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.77514043,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013957,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:28.225000Z",
"spacegroup": 225
},
{
"id": "mp-865519",
"created_at": "2022-09-04T14:41:50.165342Z",
"structure_string": "Y1 Ta1 Ru2\n1.0\n0.000000 3.279119 3.279119\n3.279119 0.000000 3.279119\n3.279119 3.279119 0.000000\nY Ta Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Ta\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Ta",
"Ru"
],
"chemical_system": "Ru-Ta-Y",
"density": 11.114343077585334,
"density_atomic": 0.056722904765095755,
"volume": 70.5182503710809,
"volume_molar": 10.616770747089285,
"formula_full": "Y1 Ta1 Ru2",
"formula_reduced": "YTaRu2",
"formula_anonymous": "ABC2",
"energy": -38.217699,
"energy_per_atom": -9.55442475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.217699,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002421,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:26.540000Z",
"spacegroup": 225
},
{
"id": "mp-1110573",
"created_at": "2022-09-04T14:41:50.178032Z",
"structure_string": "Na3 Au1 F6\n1.0\n0.000000 4.313755 4.313755\n4.313755 0.000000 4.313755\n4.313755 4.313755 0.000000\nNa Au F\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Au\n0.753535 0.246465 0.246465 F\n0.246465 0.246465 0.753535 F\n0.246465 0.753535 0.753535 F\n0.246465 0.753535 0.246465 F\n0.753535 0.246465 0.753535 F\n0.753535 0.753535 0.246465 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Na",
"Au",
"F"
],
"chemical_system": "Au-F-Na",
"density": 3.929633327294261,
"density_atomic": 0.062287883957997274,
"volume": 160.54486626553765,
"volume_molar": 9.668237829464433,
"formula_full": "Na3 Au1 F6",
"formula_reduced": "Na3AuF6",
"formula_anonymous": "AB3C6",
"energy": -40.35033761,
"energy_per_atom": -4.035033760999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.57833761,
"band_gap": 0.5640999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0000521,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:28.576000Z",
"spacegroup": 225
},
{
"id": "mp-27691",
"created_at": "2022-09-04T14:41:50.312342Z",
"structure_string": "K2 Pt1 Br6\n1.0\n0.000000 5.285517 5.285517\n5.285517 0.000000 5.285517\n5.285517 5.285517 0.000000\nK Pt Br\n2 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.000000 0.000000 0.000000 Pt\n0.236926 0.763074 0.236926 Br\n0.236926 0.763074 0.763074 Br\n0.763074 0.763074 0.236926 Br\n0.763074 0.236926 0.236926 Br\n0.236926 0.236926 0.763074 Br\n0.763074 0.236926 0.763074 Br\n",
"nsites": 9,
"nelements": 3,
"elements": [
"K",
"Pt",
"Br"
],
"chemical_system": "Br-K-Pt",
"density": 4.232346831275917,
"density_atomic": 0.030475447519122935,
"volume": 295.31969938596046,
"volume_molar": 19.760631098923774,
"formula_full": "K2 Pt1 Br6",
"formula_reduced": "K2PtBr6",
"formula_anonymous": "AB2C6",
"energy": -30.27458647,
"energy_per_atom": -3.363842941111111,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.07058647,
"band_gap": 1.1688,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005907,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:31.665000Z",
"spacegroup": 225
},
{
"id": "mp-1186937",
"created_at": "2022-09-04T14:41:50.333338Z",
"structure_string": "Sc2 Cd1 Hg1\n1.0\n0.000000 3.537762 3.537762\n3.537762 0.000000 3.537762\n3.537762 3.537762 0.000000\nSc Cd Hg\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Sc\n0.250000 0.250000 0.250000 Sc\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Cd",
"Hg"
],
"chemical_system": "Cd-Hg-Sc",
"density": 7.555171966743521,
"density_atomic": 0.0451693829089528,
"volume": 88.55556003637986,
"volume_molar": 13.332351190492757,
"formula_full": "Sc2 Cd1 Hg1",
"formula_reduced": "Sc2CdHg",
"formula_anonymous": "ABC2",
"energy": -15.32404046,
"energy_per_atom": -3.831010115,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.32404046,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001747,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:41.303000Z",
"spacegroup": 225
},
{
"id": "mp-610706",
"created_at": "2022-09-04T14:41:50.347810Z",
"structure_string": "Cs2 Co1 F6\n1.0\n0.000000 4.525422 4.525422\n4.525422 0.000000 4.525422\n4.525422 4.525422 0.000000\nCs Co F\n2 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.000000 0.000000 0.000000 Co\n0.799218 0.200782 0.799218 F\n0.200782 0.200782 0.799218 F\n0.799218 0.799218 0.200782 F\n0.200782 0.799218 0.200782 F\n0.200782 0.799218 0.799218 F\n0.799218 0.200782 0.200782 F\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Cs",
"Co",
"F"
],
"chemical_system": "Co-Cs-F",
"density": 3.9304624791861564,
"density_atomic": 0.048555145776707824,
"volume": 185.3562553676309,
"volume_molar": 12.40268289522643,
"formula_full": "Cs2 Co1 F6",
"formula_reduced": "Cs2CoF6",
"formula_anonymous": "AB2C6",
"energy": -42.68904404,
"energy_per_atom": -4.743227115555555,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.27904404,
"band_gap": 1.2747,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 1.0000144,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:30.121000Z",
"spacegroup": 225
},
{
"id": "mp-1111490",
"created_at": "2022-09-04T14:41:50.361848Z",
"structure_string": "K3 In1 Br6\n1.0\n0.000000 5.820875 5.820875\n5.820875 0.000000 5.820875\n5.820875 5.820875 0.000000\nK In Br\n3 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 In\n0.768072 0.231928 0.231928 Br\n0.231928 0.231928 0.768072 Br\n0.231928 0.768072 0.768072 Br\n0.231928 0.768072 0.231928 Br\n0.768072 0.231928 0.768072 Br\n0.768072 0.768072 0.231928 Br\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"In",
"Br"
],
"chemical_system": "Br-In-K",
"density": 2.9953785099488734,
"density_atomic": 0.0253515889655546,
"volume": 394.45259283696487,
"volume_molar": 23.7544903721117,
"formula_full": "K3 In1 Br6",
"formula_reduced": "K3InBr6",
"formula_anonymous": "AB3C6",
"energy": -32.46344313,
"energy_per_atom": -3.2463443130000003,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.25944313,
"band_gap": 2.4083,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0005169,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:25.167000Z",
"spacegroup": 225
}
]
}