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=135",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-id&page=133",
"results": [
{
"id": "mp-979261",
"created_at": "2022-09-04T14:41:09.340124Z",
"structure_string": "Ti2 Pd2\n1.0\n4.588963 0.000000 0.000000\n0.000000 2.809465 0.000000\n0.000000 0.175971 4.912194\nTi Pd\n2 2\ndirect\n0.250000 0.967902 0.298231 Ti\n0.750000 0.032098 0.701769 Ti\n0.250000 0.504437 0.812490 Pd\n0.750000 0.495563 0.187510 Pd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"Pd"
],
"chemical_system": "Pd-Ti",
"density": 8.090860909651711,
"density_atomic": 0.06316060754871419,
"volume": 63.33061310271438,
"volume_molar": 9.534646663041158,
"formula_full": "Ti2 Pd2",
"formula_reduced": "TiPd",
"formula_anonymous": "AB",
"energy": -28.33038712,
"energy_per_atom": -7.08259678,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.33038712,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0117226,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:11.864000Z",
"spacegroup": 11
},
{
"id": "mp-979260",
"created_at": "2022-09-04T14:47:21.573106Z",
"structure_string": "Sc6 Ga16 Ru7\n1.0\n0.000000 6.217073 6.217073\n6.217073 0.000000 6.217073\n6.217073 6.217073 0.000000\nSc Ga Ru\n6 16 7\ndirect\n0.720173 0.279827 0.279827 Sc\n0.279827 0.720173 0.720173 Sc\n0.279827 0.720173 0.279827 Sc\n0.279827 0.279827 0.720173 Sc\n0.720173 0.279827 0.720173 Sc\n0.720173 0.720173 0.279827 Sc\n0.344247 0.344247 0.967258 Ga\n0.344247 0.344247 0.344247 Ga\n0.967258 0.344247 0.344247 Ga\n0.344247 0.967258 0.344247 Ga\n0.655753 0.655753 0.655753 Ga\n0.655753 0.655753 0.032742 Ga\n0.655753 0.032742 0.655753 Ga\n0.032742 0.655753 0.655753 Ga\n0.123541 0.123541 0.123541 Ga\n0.123541 0.123541 0.629377 Ga\n0.629377 0.123541 0.123541 Ga\n0.123541 0.629377 0.123541 Ga\n0.876459 0.876459 0.876459 Ga\n0.876459 0.876459 0.370623 Ga\n0.876459 0.370623 0.876459 Ga\n0.370623 0.876459 0.876459 Ga\n0.500000 0.000000 0.000000 Ru\n0.000000 0.500000 0.500000 Ru\n0.000000 0.500000 0.000000 Ru\n0.000000 0.000000 0.500000 Ru\n0.500000 0.000000 0.500000 Ru\n0.500000 0.500000 0.000000 Ru\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Sc",
"Ga",
"Ru"
],
"chemical_system": "Ga-Ru-Sc",
"density": 7.230820378109782,
"density_atomic": 0.060340666340092206,
"volume": 480.6045700017652,
"volume_molar": 9.980235760172079,
"formula_full": "Sc6 Ga16 Ru7",
"formula_reduced": "Sc6Ga16Ru7",
"formula_anonymous": "A6B7C16",
"energy": -166.40030557,
"energy_per_atom": -5.73794157137931,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -166.40030557,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007517,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:09.042000Z",
"spacegroup": 225
},
{
"id": "mp-979259",
"created_at": "2022-09-04T14:47:03.482091Z",
"structure_string": "V2 Re1 Mo1\n1.0\n0.000000 3.056681 3.056681\n3.056681 0.000000 3.056681\n3.056681 3.056681 0.000000\nV Re Mo\n2 1 1\ndirect\n0.250000 0.250000 0.250000 V\n0.750000 0.750000 0.750000 V\n0.000000 0.000000 0.000000 Re\n0.500000 0.500000 0.500000 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
"V",
"Re",
"Mo"
],
"chemical_system": "Mo-Re-V",
"density": 11.164361791920616,
"density_atomic": 0.07002927711871071,
"volume": 57.11896744584935,
"volume_molar": 8.599461550619061,
"formula_full": "V2 Re1 Mo1",
"formula_reduced": "V2ReMo",
"formula_anonymous": "ABC2",
"energy": -42.56160373,
"energy_per_atom": -10.6404009325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.56160373,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008646,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:50.911000Z",
"spacegroup": 225
},
{
"id": "mp-979258",
"created_at": "2022-09-04T14:42:37.647228Z",
"structure_string": "Tm2 Cd1 Hg1\n1.0\n0.000000 3.692220 3.692220\n3.692220 0.000000 3.692220\n3.692220 3.692220 0.000000\nTm Cd Hg\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Tm\n0.750000 0.750000 0.750000 Tm\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tm",
"Cd",
"Hg"
],
"chemical_system": "Cd-Hg-Tm",
"density": 10.736191710783626,
"density_atomic": 0.039734457170243175,
"volume": 100.66829358865807,
"volume_molar": 15.15596585149761,
"formula_full": "Tm2 Cd1 Hg1",
"formula_reduced": "Tm2CdHg",
"formula_anonymous": "ABC2",
"energy": -11.72402434,
"energy_per_atom": -2.931006085,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.72402434,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003136,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:09.522000Z",
"spacegroup": 225
},
{
"id": "mp-979254",
"created_at": "2022-09-04T14:40:29.803224Z",
"structure_string": "Sn1 Ge3\n1.0\n-2.182002 2.182002 4.449662\n2.182002 -2.182002 4.449662\n2.182002 2.182002 -4.449662\nSn Ge\n1 3\ndirect\n0.000000 0.000000 0.000000 Sn\n0.750000 0.250000 0.500000 Ge\n0.250000 0.750000 0.500000 Ge\n0.500000 0.500000 0.000000 Ge\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sn",
"Ge"
],
"chemical_system": "Ge-Sn",
"density": 6.596363982973559,
"density_atomic": 0.047202248668732856,
"volume": 84.74172550702296,
"volume_molar": 12.758164981214367,
"formula_full": "Sn1 Ge3",
"formula_reduced": "SnGe3",
"formula_anonymous": "AB3",
"energy": -16.70960431,
"energy_per_atom": -4.1774010775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.70960431,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007633,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:00.716000Z",
"spacegroup": 139
},
{
"id": "mp-979253",
"created_at": "2022-09-04T14:39:17.037570Z",
"structure_string": "Sm3 Tm1\n1.0\n5.088412 0.000000 0.000000\n0.000000 5.088412 0.000000\n0.000000 0.000000 5.088412\nSm Tm\n3 1\ndirect\n0.000000 0.500000 0.500000 Sm\n0.500000 0.000000 0.500000 Sm\n0.500000 0.500000 0.000000 Sm\n0.000000 0.000000 0.000000 Tm\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sm",
"Tm"
],
"chemical_system": "Sm-Tm",
"density": 7.814549314278017,
"density_atomic": 0.03036079831964285,
"volume": 131.74884131462633,
"volume_molar": 19.835251684089577,
"formula_full": "Sm3 Tm1",
"formula_reduced": "Sm3Tm",
"formula_anonymous": "AB3",
"energy": -18.58639137,
"energy_per_atom": -4.6465978425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.58639137,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0023241,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:28.802000Z",
"spacegroup": 221
},
{
"id": "mp-979234",
"created_at": "2022-09-04T14:39:11.590090Z",
"structure_string": "Sm6 Y2\n1.0\n3.672624 -6.361171 0.000000\n3.672624 6.361171 0.000000\n0.000000 0.000000 5.818866\nSm Y\n6 2\ndirect\n0.166592 0.333185 0.250000 Sm\n0.666815 0.833408 0.250000 Sm\n0.166592 0.833408 0.250000 Sm\n0.833408 0.666815 0.750000 Sm\n0.333185 0.166592 0.750000 Sm\n0.833408 0.166592 0.750000 Sm\n0.333333 0.666667 0.750000 Y\n0.666667 0.333333 0.250000 Y\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sm",
"Y"
],
"chemical_system": "Sm-Y",
"density": 6.5959838340259145,
"density_atomic": 0.029424432594236008,
"volume": 271.88289780538133,
"volume_molar": 20.46646351025877,
"formula_full": "Sm6 Y2",
"formula_reduced": "Sm3Y",
"formula_anonymous": "AB3",
"energy": -41.08065155,
"energy_per_atom": -5.13508144375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.08065155,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0395163,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:33.042000Z",
"spacegroup": 194
},
{
"id": "mp-979176",
"created_at": "2022-09-04T14:42:50.552197Z",
"structure_string": "Tm2 Ag1 Hg1\n1.0\n0.000000 3.635505 3.635505\n3.635505 0.000000 3.635505\n3.635505 3.635505 0.000000\nTm Ag Hg\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Tm\n0.750000 0.750000 0.750000 Tm\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tm",
"Ag",
"Hg"
],
"chemical_system": "Ag-Hg-Tm",
"density": 11.16803860125535,
"density_atomic": 0.04162322789249515,
"volume": 96.10018738410284,
"volume_molar": 14.468221387236087,
"formula_full": "Tm2 Ag1 Hg1",
"formula_reduced": "Tm2AgHg",
"formula_anonymous": "ABC2",
"energy": -13.74669246,
"energy_per_atom": -3.436673115,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.74669246,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001467,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:55.061000Z",
"spacegroup": 225
},
{
"id": "mp-979137",
"created_at": "2022-09-04T14:39:06.513885Z",
"structure_string": "Sr1 Ga1 Si1 H1\n1.0\n2.101047 -3.639120 0.000000\n2.101047 3.639120 0.000000\n0.000000 0.000000 4.947819\nSr Ga Si H\n1 1 1 1\ndirect\n0.666667 0.333333 0.996858 Sr\n0.333333 0.666667 0.547676 Ga\n0.000000 0.000000 0.444042 Si\n0.333333 0.666667 0.908324 H\n",
"nsites": 4,
"nelements": 4,
"elements": [
"Sr",
"Ga",
"Si",
"H"
],
"chemical_system": "Ga-H-Si-Sr",
"density": 4.091701610414293,
"density_atomic": 0.05286692462986074,
"volume": 75.66167368360001,
"volume_molar": 11.391131226495675,
"formula_full": "Sr1 Ga1 Si1 H1",
"formula_reduced": "SrGaSiH",
"formula_anonymous": "ABCD",
"energy": -15.28587361,
"energy_per_atom": -3.8214684025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.17787361,
"band_gap": 0.4169,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.6e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.302000Z",
"spacegroup": 156
},
{
"id": "mp-979116",
"created_at": "2022-09-04T14:47:58.915180Z",
"structure_string": "Th3 Br1\n1.0\n-2.456307 2.456307 5.000956\n2.456307 -2.456307 5.000956\n2.456307 2.456307 -5.000956\nTh Br\n3 1\ndirect\n0.750000 0.250000 0.500000 Th\n0.250000 0.750000 0.500000 Th\n0.500000 0.500000 0.000000 Th\n0.000000 0.000000 0.000000 Br\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Th",
"Br"
],
"chemical_system": "Br-Th",
"density": 10.676838574502357,
"density_atomic": 0.033142226018298054,
"volume": 120.69195345513522,
"volume_molar": 18.170598307654817,
"formula_full": "Th3 Br1",
"formula_reduced": "Th3Br",
"formula_anonymous": "AB3",
"energy": -24.12639641,
"energy_per_atom": -6.0315991025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.59239641,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1302598,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:25.360000Z",
"spacegroup": 139
},
{
"id": "mp-979115",
"created_at": "2022-09-04T14:47:16.741228Z",
"structure_string": "Ti2 Ag1\n1.0\n-1.465597 1.465597 6.082916\n1.465597 -1.465597 6.082916\n1.465597 1.465597 -6.082916\nTi Ag\n2 1\ndirect\n0.327416 0.327416 0.000000 Ti\n0.672584 0.672584 0.000000 Ti\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ti",
"Ag"
],
"chemical_system": "Ag-Ti",
"density": 6.4689026956697155,
"density_atomic": 0.05740111247746202,
"volume": 52.26379543040948,
"volume_molar": 10.49133109112569,
"formula_full": "Ti2 Ag1",
"formula_reduced": "Ti2Ag",
"formula_anonymous": "AB2",
"energy": -18.79535913,
"energy_per_atom": -6.2651197100000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.79535913,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.002838,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:59.677000Z",
"spacegroup": 139
},
{
"id": "mp-979114",
"created_at": "2022-09-04T14:45:54.386614Z",
"structure_string": "Th3 U1\n1.0\n4.926054 0.000000 0.000000\n0.000000 4.926054 0.000000\n0.000000 0.000000 4.926054\nTh U\n3 1\ndirect\n0.000000 0.500000 0.500000 Th\n0.500000 0.000000 0.500000 Th\n0.500000 0.500000 0.000000 Th\n0.000000 0.000000 0.000000 U\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Th",
"U"
],
"chemical_system": "Th-U",
"density": 12.976721918249336,
"density_atomic": 0.033462816075460505,
"volume": 119.53566582620478,
"volume_molar": 17.996515136143174,
"formula_full": "Th3 U1",
"formula_reduced": "Th3U",
"formula_anonymous": "AB3",
"energy": -32.55392487,
"energy_per_atom": -8.1384812175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.55392487,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.1620011,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:11.554000Z",
"spacegroup": 221
}
]
}