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=-elements&page=12140",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-elements&page=12138",
"results": [
{
"id": "mp-1076923",
"created_at": "2022-09-04T14:46:37.785596Z",
"structure_string": "Ta4\n1.0\n22.698565 0.000000 0.000000\n0.000000 22.698565 0.000000\n0.000000 0.000000 2.404058\nTa\n4\ndirect\n0.318632 0.818632 0.000000 Ta\n0.681368 0.181368 0.000000 Ta\n0.818632 0.681368 0.000000 Ta\n0.181368 0.318632 0.000000 Ta\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Ta"
],
"chemical_system": "Ta",
"density": 0.9703330921975528,
"density_atomic": 0.003229373268876708,
"volume": 1238.6304297958543,
"volume_molar": 186.48016994624834,
"formula_full": "Ta4",
"formula_reduced": "Ta",
"formula_anonymous": "A",
"energy": -26.84558027,
"energy_per_atom": -6.7113950675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.84558027,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.8204823,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:38.907000Z",
"spacegroup": 127
},
{
"id": "mp-1217805",
"created_at": "2022-09-04T14:48:30.400982Z",
"structure_string": "Ta2\n1.0\n0.000000 0.000000 2.406720\n21.717152 0.000333 0.000000\n0.000333 21.717152 0.000000\nTa\n2\ndirect\n0.000000 0.818090 0.318090 Ta\n0.000000 0.181910 0.681910 Ta\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ta"
],
"chemical_system": "Ta",
"density": 0.5294211455763627,
"density_atomic": 0.0017619707183544225,
"volume": 1135.092643235231,
"volume_molar": 341.7843836601512,
"formula_full": "Ta2",
"formula_reduced": "Ta",
"formula_anonymous": "A",
"energy": -13.42462527,
"energy_per_atom": -6.712312635,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.42462527,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.4133939,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:57.531000Z",
"spacegroup": 65
},
{
"id": "mp-1217756",
"created_at": "2022-09-04T14:42:54.550985Z",
"structure_string": "Ta1\n1.0\n2.749682 0.000000 0.000000\n0.000000 2.749682 0.000000\n0.000000 0.000000 2.749682\nTa\n1\ndirect\n0.000000 0.000000 0.000000 Ta\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ta"
],
"chemical_system": "Ta",
"density": 14.452906217870051,
"density_atomic": 0.048100831944077466,
"volume": 20.78966120924084,
"volume_molar": 12.519826615476015,
"formula_full": "Ta1",
"formula_reduced": "Ta",
"formula_anonymous": "A",
"energy": -10.75863415,
"energy_per_atom": -10.75863415,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.75863415,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003866,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:00.420000Z",
"spacegroup": 221
},
{
"id": "mp-639774",
"created_at": "2022-09-04T14:47:03.918638Z",
"structure_string": "Sr1\n1.0\n3.851356 0.000000 0.000000\n0.000000 3.851356 0.000000\n0.000000 0.000000 3.851356\nSr\n1\ndirect\n0.000000 0.000000 0.000000 Sr\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Sr"
],
"chemical_system": "Sr",
"density": 2.5468968300280372,
"density_atomic": 0.01750487470546341,
"volume": 57.126944169894124,
"volume_molar": 34.402649897976374,
"formula_full": "Sr1",
"formula_reduced": "Sr",
"formula_anonymous": "A",
"energy": -1.29243919,
"energy_per_atom": -1.29243919,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.29243919,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005104,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:54.881000Z",
"spacegroup": 221
},
{
"id": "mp-19858",
"created_at": "2022-09-04T14:46:35.674047Z",
"structure_string": "Sr1\n1.0\n2.035118 -3.524927 0.000000\n2.035118 3.524927 0.000000\n0.000000 0.000000 3.773756\nSr\n1\ndirect\n0.000000 0.000000 0.000000 Sr\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Sr"
],
"chemical_system": "Sr",
"density": 2.687254577070871,
"density_atomic": 0.01846955641025743,
"volume": 54.14315199495698,
"volume_molar": 32.60576825037057,
"formula_full": "Sr1",
"formula_reduced": "Sr",
"formula_anonymous": "A",
"energy": -1.45310347,
"energy_per_atom": -1.45310347,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.45310347,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012871,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:39.240000Z",
"spacegroup": 191
},
{
"id": "mp-1056418",
"created_at": "2022-09-04T14:43:55.002134Z",
"structure_string": "Sr1\n1.0\n5.170111 -8.954895 0.000000\n5.170111 8.954895 0.000000\n0.000000 0.000000 4.600698\nSr\n1\ndirect\n0.000000 0.000000 0.000000 Sr\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Sr"
],
"chemical_system": "Sr",
"density": 0.3415373931520808,
"density_atomic": 0.0023473935826022274,
"volume": 426.0044022491702,
"volume_molar": 256.54584747241637,
"formula_full": "Sr1",
"formula_reduced": "Sr",
"formula_anonymous": "A",
"energy": -0.28976532,
"energy_per_atom": -0.28976532,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.28976532,
"band_gap": 0.3718999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.00039,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:23.624000Z",
"spacegroup": 191
},
{
"id": "mp-867202",
"created_at": "2022-09-04T14:41:01.748128Z",
"structure_string": "Sr4\n1.0\n2.132170 -3.693026 0.000000\n2.132170 3.693026 0.000000\n0.000000 0.000000 13.914315\nSr\n4\ndirect\n0.000000 0.000000 0.000000 Sr\n0.333333 0.666667 0.250000 Sr\n0.000000 0.000000 0.500000 Sr\n0.666667 0.333333 0.750000 Sr\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Sr"
],
"chemical_system": "Sr",
"density": 2.6559281214660855,
"density_atomic": 0.018254249031543546,
"volume": 219.127064229701,
"volume_molar": 32.990350627920506,
"formula_full": "Sr4",
"formula_reduced": "Sr",
"formula_anonymous": "A",
"energy": -6.7262302,
"energy_per_atom": -1.68155755,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.7262302,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0026313,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:09.496000Z",
"spacegroup": 194
},
{
"id": "mp-1179325",
"created_at": "2022-09-04T14:40:35.686988Z",
"structure_string": "Sr1\n1.0\n3.773016 0.000000 0.000000\n0.000000 3.773016 0.000000\n0.000000 0.000000 3.881346\nSr\n1\ndirect\n0.000000 0.000000 0.000000 Sr\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Sr"
],
"chemical_system": "Sr",
"density": 2.6332536398513917,
"density_atomic": 0.018098406849403732,
"volume": 55.25348216121829,
"volume_molar": 33.27442470550055,
"formula_full": "Sr1",
"formula_reduced": "Sr",
"formula_anonymous": "A",
"energy": -1.28977295,
"energy_per_atom": -1.28977295,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.28977295,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020406,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.499000Z",
"spacegroup": 123
},
{
"id": "mp-1187073",
"created_at": "2022-09-04T14:39:48.316610Z",
"structure_string": "Sr3\n1.0\n10.516069 -2.123055 0.000000\n10.516069 2.123055 0.000000\n10.087452 0.000000 3.652175\nSr\n3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.222383 0.222383 0.222383 Sr\n0.777617 0.777617 0.777617 Sr\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Sr"
],
"chemical_system": "Sr",
"density": 2.676562283628263,
"density_atomic": 0.018396068055793996,
"volume": 163.07832689579146,
"volume_molar": 32.736021315725,
"formula_full": "Sr3",
"formula_reduced": "Sr",
"formula_anonymous": "A",
"energy": -5.06848036,
"energy_per_atom": -1.6894934533333332,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.06848036,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002302,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:26.079000Z",
"spacegroup": 166
},
{
"id": "mp-76",
"created_at": "2022-09-04T14:41:59.589468Z",
"structure_string": "Sr1\n1.0\n0.000000 3.011265 3.011265\n3.011265 0.000000 3.011265\n3.011265 3.011265 0.000000\nSr\n1\ndirect\n0.000000 0.000000 0.000000 Sr\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Sr"
],
"chemical_system": "Sr",
"density": 2.664252742875994,
"density_atomic": 0.018311464327048572,
"volume": 54.61059706311206,
"volume_molar": 32.887270250170346,
"formula_full": "Sr1",
"formula_reduced": "Sr",
"formula_anonymous": "A",
"energy": -1.68309255,
"energy_per_atom": -1.68309255,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.68309255,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014988,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:36.655000Z",
"spacegroup": 225
},
{
"id": "mp-95",
"created_at": "2022-09-04T14:39:34.815180Z",
"structure_string": "Sr1\n1.0\n-2.376775 2.376775 2.376775\n2.376775 -2.376775 2.376775\n2.376775 2.376775 -2.376775\nSr\n1\ndirect\n0.000000 0.000000 0.000000 Sr\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Sr"
],
"chemical_system": "Sr",
"density": 2.709119378588865,
"density_atomic": 0.01861983364430939,
"volume": 53.70617262768193,
"volume_molar": 32.34261312447596,
"formula_full": "Sr1",
"formula_reduced": "Sr",
"formula_anonymous": "A",
"energy": -1.67643704,
"energy_per_atom": -1.67643704,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.67643704,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001281,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:23.579000Z",
"spacegroup": 229
},
{
"id": "mp-139",
"created_at": "2022-09-04T14:40:23.280084Z",
"structure_string": "Sr2\n1.0\n2.125694 -3.681810 0.000000\n2.125694 3.681810 0.000000\n0.000000 0.000000 7.055649\nSr\n2\ndirect\n0.333333 0.666667 0.250000 Sr\n0.666667 0.333333 0.750000 Sr\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Sr"
],
"chemical_system": "Sr",
"density": 2.634834000250872,
"density_atomic": 0.018109268699187442,
"volume": 110.44068279188653,
"volume_molar": 33.25446687016253,
"formula_full": "Sr2",
"formula_reduced": "Sr",
"formula_anonymous": "A",
"energy": -3.3677998,
"energy_per_atom": -1.6838999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.3677998,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0109657,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:51.877000Z",
"spacegroup": 194
}
]
}