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=nsites&page=31",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nsites&page=29",
"results": [
{
"id": "mp-1018140",
"created_at": "2022-09-04T14:41:45.288448Z",
"structure_string": "Mg1 Ni1\n1.0\n2.984872 0.000000 0.000000\n0.000000 2.984872 0.000000\n0.000000 0.000000 3.160043\nMg Ni\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Ni\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mg",
"Ni"
],
"chemical_system": "Mg-Ni",
"density": 4.8952446497956865,
"density_atomic": 0.07103715817628806,
"volume": 28.154279412990267,
"volume_molar": 8.477451681069878,
"formula_full": "Mg1 Ni1",
"formula_reduced": "MgNi",
"formula_anonymous": "AB",
"energy": -7.68278149,
"energy_per_atom": -3.841390745,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.68278149,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004114,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:21.114000Z",
"spacegroup": 123
},
{
"id": "mp-1022721",
"created_at": "2022-09-04T14:40:15.146187Z",
"structure_string": "Al1 Cu1\n1.0\n2.997509 0.000000 0.000000\n0.000000 2.997509 0.000000\n0.000000 0.000000 2.997509\nAl Cu\n1 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Cu\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Al",
"Cu"
],
"chemical_system": "Al-Cu",
"density": 5.581466500966712,
"density_atomic": 0.07425889944093088,
"volume": 26.932798830272144,
"volume_molar": 8.10965528083311,
"formula_full": "Al1 Cu1",
"formula_reduced": "AlCu",
"formula_anonymous": "AB",
"energy": -8.12351592,
"energy_per_atom": -4.06175796,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.12351592,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002755,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.572000Z",
"spacegroup": 221
},
{
"id": "mp-1057437",
"created_at": "2022-09-04T14:41:45.492930Z",
"structure_string": "Rb1 S1\n1.0\n0.000000 3.402904 3.402904\n3.402904 0.000000 3.402904\n3.402904 3.402904 0.000000\nRb S\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Rb",
"S"
],
"chemical_system": "Rb-S",
"density": 2.476447311469058,
"density_atomic": 0.025377621054793253,
"volume": 78.80959352658651,
"volume_molar": 23.730123272774442,
"formula_full": "Rb1 S1",
"formula_reduced": "RbS",
"formula_anonymous": "AB",
"energy": -6.25514983,
"energy_per_atom": -3.127574915,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.75214983,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9999783,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:21.682000Z",
"spacegroup": 225
},
{
"id": "mp-1001827",
"created_at": "2022-09-04T14:41:47.087843Z",
"structure_string": "Ir1 C1\n1.0\n1.525126 -2.641596 0.000000\n1.525126 2.641596 0.000000\n0.000000 0.000000 2.673382\nIr C\n1 1\ndirect\n0.000000 0.000000 0.000000 Ir\n0.333333 0.666667 0.500000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ir",
"C"
],
"chemical_system": "C-Ir",
"density": 15.743475237164242,
"density_atomic": 0.09284678225582677,
"volume": 21.540864975689413,
"volume_molar": 6.486106048787781,
"formula_full": "Ir1 C1",
"formula_reduced": "IrC",
"formula_anonymous": "AB",
"energy": -15.62565319,
"energy_per_atom": -7.812826595,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.62565319,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000322,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:40.056000Z",
"spacegroup": 187
},
{
"id": "mp-20848",
"created_at": "2022-09-04T14:42:56.130847Z",
"structure_string": "Tm1 In1\n1.0\n3.722672 0.000000 0.000000\n0.000000 3.722672 0.000000\n0.000000 0.000000 3.722672\nTm In\n1 1\ndirect\n0.500000 0.500000 0.500000 Tm\n0.000000 0.000000 0.000000 In\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tm",
"In"
],
"chemical_system": "In-Tm",
"density": 9.133222374113894,
"density_atomic": 0.03876731092124542,
"volume": 51.58985631123442,
"volume_molar": 15.534068824721402,
"formula_full": "Tm1 In1",
"formula_reduced": "TmIn",
"formula_anonymous": "AB",
"energy": -8.03508029,
"energy_per_atom": -4.017540145,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.03508029,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0019817,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:54.072000Z",
"spacegroup": 221
},
{
"id": "mp-11254",
"created_at": "2022-09-04T14:41:49.281417Z",
"structure_string": "Nd1 Au1\n1.0\n3.723987 0.000000 0.000000\n0.000000 3.723987 0.000000\n0.000000 0.000000 3.723987\nNd Au\n1 1\ndirect\n0.500000 0.500000 0.500000 Nd\n0.000000 0.000000 0.000000 Au\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Nd",
"Au"
],
"chemical_system": "Au-Nd",
"density": 10.970958142654295,
"density_atomic": 0.038726257329114284,
"volume": 51.64454656702407,
"volume_molar": 15.550536445649687,
"formula_full": "Nd1 Au1",
"formula_reduced": "NdAu",
"formula_anonymous": "AB",
"energy": -9.55247889,
"energy_per_atom": -4.776239445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.55247889,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020957,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:26.886000Z",
"spacegroup": 221
},
{
"id": "mp-892",
"created_at": "2022-09-04T14:39:48.892284Z",
"structure_string": "Sc1 Pt1\n1.0\n3.308547 0.000000 0.000000\n0.000000 3.308547 0.000000\n0.000000 0.000000 3.308547\nSc Pt\n1 1\ndirect\n0.500000 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sc",
"Pt"
],
"chemical_system": "Pt-Sc",
"density": 11.005775026874286,
"density_atomic": 0.05522275512885049,
"volume": 36.21695432133778,
"volume_molar": 10.90517984107932,
"formula_full": "Sc1 Pt1",
"formula_reduced": "ScPt",
"formula_anonymous": "AB",
"energy": -14.8583683,
"energy_per_atom": -7.42918415,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.8583683,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001217,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:24.576000Z",
"spacegroup": 221
},
{
"id": "mp-1186637",
"created_at": "2022-09-04T14:41:13.525064Z",
"structure_string": "Pm1 Pa1\n1.0\n1.660812 -2.876610 0.000000\n1.660812 2.876610 0.000000\n0.000000 0.000000 5.949417\nPm Pa\n1 1\ndirect\n0.000000 0.000000 0.000000 Pm\n0.333333 0.666667 0.500000 Pa\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pm",
"Pa"
],
"chemical_system": "Pa-Pm",
"density": 10.984303332214608,
"density_atomic": 0.035182292094038,
"volume": 56.846779472305066,
"volume_molar": 17.11696538674498,
"formula_full": "Pm1 Pa1",
"formula_reduced": "PmPa",
"formula_anonymous": "AB",
"energy": -13.73795572,
"energy_per_atom": -6.86897786,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.73795572,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001126,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:17.408000Z",
"spacegroup": 187
},
{
"id": "mp-11483",
"created_at": "2022-09-04T14:40:19.473223Z",
"structure_string": "Tm1 Ir1\n1.0\n3.382318 0.000000 0.000000\n0.000000 3.382318 0.000000\n0.000000 0.000000 3.382318\nTm Ir\n1 1\ndirect\n0.500000 0.500000 0.500000 Tm\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tm",
"Ir"
],
"chemical_system": "Ir-Tm",
"density": 15.498685342120284,
"density_atomic": 0.051687637849781407,
"volume": 38.69397177353227,
"volume_molar": 11.651027229183908,
"formula_full": "Tm1 Ir1",
"formula_reduced": "TmIr",
"formula_anonymous": "AB",
"energy": -15.23019288,
"energy_per_atom": -7.61509644,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.23019288,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001429,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:51Z",
"spacegroup": 221
},
{
"id": "mp-972664",
"created_at": "2022-09-04T14:41:51.533523Z",
"structure_string": "Sm1 Th1\n1.0\n1.786825 -3.094872 0.000000\n1.786825 3.094872 0.000000\n0.000000 0.000000 5.973690\nSm Th\n1 1\ndirect\n0.000000 0.000000 0.500000 Sm\n0.666667 0.333333 0.000000 Th\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sm",
"Th"
],
"chemical_system": "Sm-Th",
"density": 9.610973695179181,
"density_atomic": 0.030271406948574994,
"volume": 66.06894761771714,
"volume_molar": 19.893825120947962,
"formula_full": "Sm1 Th1",
"formula_reduced": "SmTh",
"formula_anonymous": "AB",
"energy": -11.99392962,
"energy_per_atom": -5.99696481,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.99392962,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1153977,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:29.827000Z",
"spacegroup": 187
},
{
"id": "mp-381",
"created_at": "2022-09-04T14:41:51.431508Z",
"structure_string": "Si1 Ru1\n1.0\n2.938524 0.000000 0.000000\n0.000000 2.938524 0.000000\n0.000000 0.000000 2.938524\nSi Ru\n1 1\ndirect\n0.500000 0.500000 0.500000 Si\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Si",
"Ru"
],
"chemical_system": "Ru-Si",
"density": 8.452287797025605,
"density_atomic": 0.07882105969209018,
"volume": 25.373929351024742,
"volume_molar": 7.640268709308322,
"formula_full": "Si1 Ru1",
"formula_reduced": "SiRu",
"formula_anonymous": "AB",
"energy": -15.90745297,
"energy_per_atom": -7.953726485,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.97845297,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004408,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:26.889000Z",
"spacegroup": 221
},
{
"id": "mp-44",
"created_at": "2022-09-04T14:41:52.105492Z",
"structure_string": "U2\n1.0\n1.404314 -2.898772 0.000000\n1.404314 2.898772 0.000000\n0.000000 0.000000 4.909646\nU\n2\ndirect\n0.900983 0.099017 0.250000 U\n0.099017 0.900983 0.750000 U\n",
"nsites": 2,
"nelements": 1,
"elements": [
"U"
],
"chemical_system": "U",
"density": 19.776541402477005,
"density_atomic": 0.050034727341666925,
"volume": 39.97223740908606,
"volume_molar": 12.035922008482698,
"formula_full": "U2",
"formula_reduced": "U",
"formula_anonymous": "A",
"energy": -22.58282002,
"energy_per_atom": -11.29141001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.58282002,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002211,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:41.361000Z",
"spacegroup": 63
}
]
}