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=id&page=53",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=id&page=51",
"results": [
{
"id": "mp-1009653",
"created_at": "2022-09-04T14:41:46.149451Z",
"structure_string": "Ca1 C2\n1.0\n2.568406 -2.433105 0.000000\n2.568406 2.433105 0.000000\n0.263475 0.000000 3.528072\nCa C\n1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.598202 0.598202 0.598202 C\n0.401798 0.401798 0.401798 C\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ca",
"C"
],
"chemical_system": "C-Ca",
"density": 2.413854561496169,
"density_atomic": 0.06803451490273638,
"volume": 44.09526553233848,
"volume_molar": 8.851596529510623,
"formula_full": "Ca1 C2",
"formula_reduced": "CaC2",
"formula_anonymous": "AB2",
"energy": -19.84728841,
"energy_per_atom": -6.615762803333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.84728841,
"band_gap": 1.7072000000000005,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.5e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:41.419000Z",
"spacegroup": 166
},
{
"id": "mp-1009654",
"created_at": "2022-09-04T14:39:34.278043Z",
"structure_string": "Ca1 Ge2\n1.0\n2.033184 -3.521578 0.000000\n2.033184 3.521578 0.000000\n0.000000 0.000000 4.970748\nCa Ge\n1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.666667 0.333333 0.606385 Ge\n0.333333 0.666667 0.393615 Ge\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ca",
"Ge"
],
"chemical_system": "Ca-Ge",
"density": 4.324089701786794,
"density_atomic": 0.04214591792966927,
"volume": 71.18127086486123,
"volume_molar": 14.288787754129375,
"formula_full": "Ca1 Ge2",
"formula_reduced": "CaGe2",
"formula_anonymous": "AB2",
"energy": -12.63489047,
"energy_per_atom": -4.211630156666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.63489047,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.1e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:31.061000Z",
"spacegroup": 164
},
{
"id": "mp-1009655",
"created_at": "2022-09-04T14:47:20.783964Z",
"structure_string": "Ca1 C2\n1.0\n1.388386 -2.404755 0.000000\n1.388386 2.404755 0.000000\n0.000000 0.000000 4.183103\nCa C\n1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.666667 0.333333 0.500000 C\n0.333333 0.666667 0.500000 C\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ca",
"C"
],
"chemical_system": "C-Ca",
"density": 3.810600724611133,
"density_atomic": 0.10740181944774788,
"volume": 27.93248769365152,
"volume_molar": 5.607112422271241,
"formula_full": "Ca1 C2",
"formula_reduced": "CaC2",
"formula_anonymous": "AB2",
"energy": -18.22867129,
"energy_per_atom": -6.076223763333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.22867129,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001138,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:05.975000Z",
"spacegroup": 191
},
{
"id": "mp-1009657",
"created_at": "2022-09-04T14:47:55.216509Z",
"structure_string": "Ca1 N2\n1.0\n-1.811314 1.811314 2.983552\n1.811314 -1.811314 2.983552\n1.811314 1.811314 -2.983552\nCa N\n1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.605291 0.605291 0.000000 N\n0.394709 0.394709 0.000000 N\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ca",
"N"
],
"chemical_system": "Ca-N",
"density": 2.8877545079567786,
"density_atomic": 0.0766196500582307,
"volume": 39.15444664286524,
"volume_molar": 7.859786302108131,
"formula_full": "Ca1 N2",
"formula_reduced": "CaN2",
"formula_anonymous": "AB2",
"energy": -20.90610328,
"energy_per_atom": -6.968701093333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.18410328,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0038405,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:17.779000Z",
"spacegroup": 139
},
{
"id": "mp-1009663",
"created_at": "2022-09-04T14:41:18.156349Z",
"structure_string": "Re1 C1\n1.0\n0.000000 2.324745 2.324745\n2.324745 0.000000 2.324745\n2.324745 2.324745 0.000000\nRe C\n1 1\ndirect\n0.000000 0.000000 0.000000 Re\n0.250000 0.250000 0.250000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Re",
"C"
],
"chemical_system": "C-Re",
"density": 13.09892234175641,
"density_atomic": 0.0795928458191437,
"volume": 25.12788655081559,
"volume_molar": 7.566183490516118,
"formula_full": "Re1 C1",
"formula_reduced": "ReC",
"formula_anonymous": "AB",
"energy": -20.17800002,
"energy_per_atom": -10.08900001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.17800002,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.7696709,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:14.274000Z",
"spacegroup": 216
},
{
"id": "mp-1009694",
"created_at": "2022-09-04T14:48:01.104379Z",
"structure_string": "Re1 N1\n1.0\n0.000000 2.179033 2.179033\n2.179033 0.000000 2.179033\n2.179033 2.179033 0.000000\nRe N\n1 1\ndirect\n0.000000 0.000000 0.000000 Re\n0.500000 0.500000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Re",
"N"
],
"chemical_system": "N-Re",
"density": 16.06650713347729,
"density_atomic": 0.09665149538995656,
"volume": 20.692902804355658,
"volume_molar": 6.230778671041426,
"formula_full": "Re1 N1",
"formula_reduced": "ReN",
"formula_anonymous": "AB",
"energy": -19.03797118,
"energy_per_atom": -9.51898559,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.67697118,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002657,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:30.745000Z",
"spacegroup": 225
},
{
"id": "mp-1009695",
"created_at": "2022-09-04T14:43:03.553372Z",
"structure_string": "Ca1 B2\n1.0\n1.613215 -2.794171 0.000000\n1.613215 2.794171 0.000000\n0.000000 0.000000 4.067392\nCa B\n1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.666667 0.333333 0.500000 B\n0.333333 0.666667 0.500000 B\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ca",
"B"
],
"chemical_system": "B-Ca",
"density": 2.794106806770991,
"density_atomic": 0.08181444648945174,
"volume": 36.66834072374721,
"volume_molar": 7.3607303091348655,
"formula_full": "Ca1 B2",
"formula_reduced": "CaB2",
"formula_anonymous": "AB2",
"energy": -15.76553633,
"energy_per_atom": -5.255178776666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.76553633,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.08e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:02.456000Z",
"spacegroup": 191
},
{
"id": "mp-1009696",
"created_at": "2022-09-04T14:42:55.868156Z",
"structure_string": "Rh1 C1\n1.0\n0.000000 2.300725 2.300725\n2.300725 0.000000 2.300725\n2.300726 2.300725 0.000000\nRh C\n1 1\ndirect\n0.000000 0.000000 0.000000 Rh\n0.250000 0.250000 0.250000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Rh",
"C"
],
"chemical_system": "C-Rh",
"density": 7.834406991237518,
"density_atomic": 0.08211183747576893,
"volume": 24.35702404772268,
"volume_molar": 7.334071365504546,
"formula_full": "Rh1 C1",
"formula_reduced": "RhC",
"formula_anonymous": "AB",
"energy": -15.47165507,
"energy_per_atom": -7.735827535,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.47165507,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008668,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:57.027000Z",
"spacegroup": 216
},
{
"id": "mp-10097",
"created_at": "2022-09-04T14:42:29.428986Z",
"structure_string": "Na6 Sr6 Ga2 As8\n1.0\n4.846078 -8.393653 0.000000\n4.846078 8.393653 0.000000\n0.000000 0.000000 7.601422\nNa Sr Ga As\n6 6 2 8\ndirect\n0.136446 0.863554 0.169731 Na\n0.272892 0.136446 0.669731 Na\n0.863554 0.727108 0.669731 Na\n0.727108 0.863554 0.169731 Na\n0.863554 0.136446 0.669731 Na\n0.136446 0.272892 0.169731 Na\n0.955777 0.477888 0.998847 Sr\n0.522112 0.044223 0.998847 Sr\n0.477888 0.955777 0.498847 Sr\n0.044223 0.522112 0.498847 Sr\n0.522112 0.477888 0.998847 Sr\n0.477888 0.522112 0.498847 Sr\n0.666667 0.333333 0.373322 Ga\n0.333333 0.666667 0.873322 Ga\n0.811130 0.188870 0.278066 As\n0.188870 0.377740 0.778066 As\n0.811130 0.622260 0.278066 As\n0.666667 0.333333 0.717847 As\n0.622260 0.811130 0.778066 As\n0.333333 0.666667 0.217847 As\n0.188870 0.811130 0.778066 As\n0.377740 0.188870 0.278066 As\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Na",
"Sr",
"Ga",
"As"
],
"chemical_system": "As-Ga-Na-Sr",
"density": 3.7659861941165667,
"density_atomic": 0.03557594380773786,
"volume": 618.3953999616714,
"volume_molar": 16.927564290480383,
"formula_full": "Na6 Sr6 Ga2 As8",
"formula_reduced": "Na3Sr3GaAs4",
"formula_anonymous": "AB3C3D4",
"energy": -79.51114394,
"energy_per_atom": -3.6141429063636363,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -79.51114394,
"band_gap": 0.4377,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0034663,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:48.210000Z",
"spacegroup": 186
},
{
"id": "mp-1009720",
"created_at": "2022-09-04T14:43:18.162036Z",
"structure_string": "Rh1 N1\n1.0\n0.000000 2.176703 2.176703\n2.176703 0.000000 2.176703\n2.176703 2.176703 0.000000\nRh N\n1 1\ndirect\n0.000000 0.000000 0.000000 Rh\n0.500000 0.500000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Rh",
"N"
],
"chemical_system": "N-Rh",
"density": 9.411988920822578,
"density_atomic": 0.0969622026312764,
"volume": 20.62659413385556,
"volume_molar": 6.210812663673423,
"formula_full": "Rh1 N1",
"formula_reduced": "RhN",
"formula_anonymous": "AB",
"energy": -14.13903804,
"energy_per_atom": -7.06951902,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.77803804,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0078388,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:07.325000Z",
"spacegroup": 225
},
{
"id": "mp-1009730",
"created_at": "2022-09-04T14:39:47.534046Z",
"structure_string": "Ca2 Sn1\n1.0\n0.000000 3.785668 3.785668\n3.785668 0.000000 3.785668\n3.785668 3.785668 0.000000\nCa Sn\n2 1\ndirect\n0.750000 0.750000 0.750000 Ca\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ca",
"Sn"
],
"chemical_system": "Ca-Sn",
"density": 3.0433511697691396,
"density_atomic": 0.027647997846983404,
"volume": 108.50695289414317,
"volume_molar": 21.781471458907323,
"formula_full": "Ca2 Sn1",
"formula_reduced": "Ca2Sn",
"formula_anonymous": "AB2",
"energy": -9.8728119,
"energy_per_atom": -3.2909373,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.8728119,
"band_gap": 0.6619999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005766,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:44.697000Z",
"spacegroup": 225
},
{
"id": "mp-1009731",
"created_at": "2022-09-04T14:41:11.587837Z",
"structure_string": "Re1 C1\n1.0\n2.700655 0.000000 0.000000\n0.000000 2.700655 0.000000\n0.000000 0.000000 2.700655\nRe C\n1 1\ndirect\n0.000000 0.000000 0.000000 Re\n0.500000 0.500000 0.500000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Re",
"C"
],
"chemical_system": "C-Re",
"density": 16.710298427499566,
"density_atomic": 0.10153661283203796,
"volume": 19.69732832538351,
"volume_molar": 5.931004188569729,
"formula_full": "Re1 C1",
"formula_reduced": "ReC",
"formula_anonymous": "AB",
"energy": -19.48687855,
"energy_per_atom": -9.743439275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.48687855,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013152,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:15.607000Z",
"spacegroup": 221
}
]
}