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=-energy&page=80",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy&page=78",
"results": [
{
"id": "mp-1096018",
"created_at": "2022-09-04T14:43:48.442705Z",
"structure_string": "Ba1 Li2 Sn1\n1.0\n-6.338868 6.548757 9.089066\n6.338868 -6.548757 9.089066\n6.338868 6.548757 -9.089066\nBa Li Sn\n1 2 1\ndirect\n0.000000 0.500000 0.500000 Ba\n0.000000 0.210452 0.210452 Li\n0.000000 0.789548 0.789548 Li\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Li",
"Sn"
],
"chemical_system": "Ba-Li-Sn",
"density": 0.29698377376632146,
"density_atomic": 0.002650392287574929,
"volume": 1509.2105492277685,
"volume_molar": 227.2169590981633,
"formula_full": "Ba1 Li2 Sn1",
"formula_reduced": "BaLi2Sn",
"formula_anonymous": "ABC2",
"energy": -5.1459472,
"energy_per_atom": -1.2864868,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.1459472,
"band_gap": 0.2913000000000001,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 1.9490328,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:10.658000Z",
"spacegroup": 71
},
{
"id": "mp-1185567",
"created_at": "2022-09-04T14:43:44.431127Z",
"structure_string": "Cs1 Ce1\n1.0\n3.760542 -0.020892 0.014113\n-1.898327 3.202835 -0.015882\n0.027433 -0.020065 7.543382\nCs Ce\n1 1\ndirect\n0.333385 0.666503 0.249967 Cs\n0.666618 0.333499 0.750033 Ce\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cs",
"Ce"
],
"chemical_system": "Ce-Cs",
"density": 5.006523260073462,
"density_atomic": 0.022086167655308457,
"volume": 90.55441537949639,
"volume_molar": 27.266571792741807,
"formula_full": "Cs1 Ce1",
"formula_reduced": "CsCe",
"formula_anonymous": "AB",
"energy": -5.15453797,
"energy_per_atom": -2.577268985,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.15453797,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.550057,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:18.335000Z",
"spacegroup": 187
},
{
"id": "mp-1096626",
"created_at": "2022-09-04T14:47:24.568616Z",
"structure_string": "Ba2 Na1 Sn1\n1.0\n-7.030813 7.278277 10.271138\n7.030813 -7.278277 10.271138\n7.030813 7.278277 -10.271138\nBa Na Sn\n2 1 1\ndirect\n0.000000 0.272688 0.272688 Ba\n0.000000 0.727312 0.727312 Ba\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Na",
"Sn"
],
"chemical_system": "Ba-Na-Sn",
"density": 0.32885080955100965,
"density_atomic": 0.0019025991942046687,
"volume": 2102.3870987562855,
"volume_molar": 316.5217760179593,
"formula_full": "Ba2 Na1 Sn1",
"formula_reduced": "Ba2NaSn",
"formula_anonymous": "ABC2",
"energy": -5.15493015,
"energy_per_atom": -1.2887325375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.15493015,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9999811,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:06.281000Z",
"spacegroup": 71
},
{
"id": "mp-1185878",
"created_at": "2022-09-04T14:41:23.545714Z",
"structure_string": "Mg2 Hg4\n1.0\n1.756447 5.898415 0.000000\n-1.756447 5.898415 0.000000\n0.000000 2.334882 6.711736\nMg Hg\n2 4\ndirect\n0.029082 0.029082 0.719597 Mg\n0.970918 0.970918 0.280403 Mg\n0.642961 0.642961 0.952528 Hg\n0.357039 0.357039 0.047472 Hg\n0.666571 0.666571 0.381271 Hg\n0.333429 0.333429 0.618729 Hg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Hg"
],
"chemical_system": "Hg-Mg",
"density": 10.160804865754224,
"density_atomic": 0.0431435635739996,
"volume": 139.07057050836409,
"volume_molar": 13.958375852914553,
"formula_full": "Mg2 Hg4",
"formula_reduced": "MgHg2",
"formula_anonymous": "AB2",
"energy": -5.15716726,
"energy_per_atom": -0.8595278766666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.15716726,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0023395,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:20.930000Z",
"spacegroup": 12
},
{
"id": "mp-1095800",
"created_at": "2022-09-04T14:41:57.121247Z",
"structure_string": "Li1 Ca2 Sn1\n1.0\n-6.329167 6.475028 8.927843\n6.329167 -6.475028 8.927843\n6.329167 6.475028 -8.927843\nLi Ca Sn\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.738050 0.000000 0.738050 Ca\n0.261950 0.000000 0.261950 Ca\n0.500000 0.000000 0.500000 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ca",
"Sn"
],
"chemical_system": "Ca-Li-Sn",
"density": 0.23351484676825604,
"density_atomic": 0.00273316121856738,
"volume": 1463.506789437269,
"volume_molar": 220.3360972301729,
"formula_full": "Li1 Ca2 Sn1",
"formula_reduced": "LiCa2Sn",
"formula_anonymous": "ABC2",
"energy": -5.17743525,
"energy_per_atom": -1.2943588125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.17743525,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0070132,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:39.510000Z",
"spacegroup": 71
},
{
"id": "mp-1097095",
"created_at": "2022-09-04T14:43:10.554259Z",
"structure_string": "Sr1 Li2 Ge1\n1.0\n-6.078522 6.538727 9.478352\n6.078522 -6.538727 9.478352\n6.078522 6.538727 -9.478352\nSr Li Ge\n1 2 1\ndirect\n0.000000 0.500000 0.500000 Sr\n0.000000 0.204089 0.204089 Li\n0.000000 0.795911 0.795911 Li\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Li",
"Ge"
],
"chemical_system": "Ge-Li-Sr",
"density": 0.19189718441485135,
"density_atomic": 0.0026544586748590802,
"volume": 1506.898577056338,
"volume_molar": 226.86888355192434,
"formula_full": "Sr1 Li2 Ge1",
"formula_reduced": "SrLi2Ge",
"formula_anonymous": "ABC2",
"energy": -5.17960072,
"energy_per_atom": -1.29490018,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.17960072,
"band_gap": 0.1602000000000001,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 2.0005883,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:02.568000Z",
"spacegroup": 71
},
{
"id": "mp-2",
"created_at": "2022-09-04T14:47:22.539860Z",
"structure_string": "Pd1\n1.0\n0.000000 1.978533 1.978533\n1.978533 0.000000 1.978533\n1.978533 1.978533 0.000000\nPd\n1\ndirect\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Pd"
],
"chemical_system": "Pd",
"density": 11.408077466103864,
"density_atomic": 0.06455651975719152,
"volume": 15.490302199703093,
"volume_molar": 9.328478026154967,
"formula_full": "Pd1",
"formula_reduced": "Pd",
"formula_anonymous": "A",
"energy": -5.17988181,
"energy_per_atom": -5.17988181,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.17988181,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.4002472,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:06.489000Z",
"spacegroup": 225
},
{
"id": "mp-2426",
"created_at": "2022-09-04T14:48:27.365754Z",
"structure_string": "Li1 Ag1\n1.0\n3.192020 0.000000 0.000000\n0.000000 3.192020 0.000000\n0.000000 0.000000 3.192020\nLi Ag\n1 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Li",
"Ag"
],
"chemical_system": "Ag-Li",
"density": 5.861772738359447,
"density_atomic": 0.06149406240219479,
"volume": 32.52346522367041,
"volume_molar": 9.793044278995405,
"formula_full": "Li1 Ag1",
"formula_reduced": "LiAg",
"formula_anonymous": "AB",
"energy": -5.18500479,
"energy_per_atom": -2.592502395,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.18500479,
"band_gap": 0.2724000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001827,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:40.808000Z",
"spacegroup": 221
},
{
"id": "mp-1186874",
"created_at": "2022-09-04T14:45:24.626283Z",
"structure_string": "Rb3 Sm1\n1.0\n-3.073628 3.073628 6.964520\n3.073628 -3.073628 6.964520\n3.073628 3.073628 -6.964520\nRb Sm\n3 1\ndirect\n0.750000 0.250000 0.500000 Rb\n0.250000 0.750000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Sm\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Sm"
],
"chemical_system": "Rb-Sm",
"density": 2.566475822524247,
"density_atomic": 0.015198691588986566,
"volume": 263.18054923218006,
"volume_molar": 39.62275781925746,
"formula_full": "Rb3 Sm1",
"formula_reduced": "Rb3Sm",
"formula_anonymous": "AB3",
"energy": -5.18554744,
"energy_per_atom": -1.29638686,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.18554744,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9621903,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:06.485000Z",
"spacegroup": 139
},
{
"id": "mp-1186046",
"created_at": "2022-09-04T14:41:02.164389Z",
"structure_string": "Na3 Mg1\n1.0\n5.058277 0.000000 0.000000\n0.000000 5.058277 0.000000\n0.000000 0.000000 5.058277\nNa Mg\n3 1\ndirect\n0.500000 0.500000 0.000000 Na\n0.500000 0.000000 0.500000 Na\n0.000000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Na",
"Mg"
],
"chemical_system": "Mg-Na",
"density": 1.1967496449087778,
"density_atomic": 0.03090666652160604,
"volume": 129.42191605179113,
"volume_molar": 19.484924897319743,
"formula_full": "Na3 Mg1",
"formula_reduced": "Na3Mg",
"formula_anonymous": "AB3",
"energy": -5.18666222,
"energy_per_atom": -1.296665555,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.18666222,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006192,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:08.344000Z",
"spacegroup": 221
},
{
"id": "mp-982637",
"created_at": "2022-09-04T14:39:18.543777Z",
"structure_string": "Na3 Mg1\n1.0\n-2.470776 2.470776 5.232470\n2.470776 -2.470776 5.232470\n2.470776 2.470776 -5.232470\nNa Mg\n3 1\ndirect\n0.500000 0.500000 0.000000 Na\n0.750000 0.250000 0.500000 Na\n0.250000 0.750000 0.500000 Na\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Na",
"Mg"
],
"chemical_system": "Mg-Na",
"density": 1.2122093954974469,
"density_atomic": 0.0313059224211034,
"volume": 127.77135093465861,
"volume_molar": 19.236426510596793,
"formula_full": "Na3 Mg1",
"formula_reduced": "Na3Mg",
"formula_anonymous": "AB3",
"energy": -5.19285509,
"energy_per_atom": -1.2982137725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.19285509,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.14e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:32.202000Z",
"spacegroup": 139
},
{
"id": "mp-948",
"created_at": "2022-09-04T14:42:22.873292Z",
"structure_string": "Zn1 Te1\n1.0\n0.000000 2.885256 2.885256\n2.885256 0.000000 2.885256\n2.885256 2.885256 0.000000\nZn Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Te\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zn",
"Te"
],
"chemical_system": "Te-Zn",
"density": 6.671808985491392,
"density_atomic": 0.04163388530933461,
"volume": 48.03779385806172,
"volume_molar": 14.464517820655555,
"formula_full": "Zn1 Te1",
"formula_reduced": "ZnTe",
"formula_anonymous": "AB",
"energy": -5.1942714,
"energy_per_atom": -2.5971357,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.7722714,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.3e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:49.693000Z",
"spacegroup": 225
}
]
}