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=12162",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nsites&page=12160",
"results": [
{
"id": "mp-1206747",
"created_at": "2022-09-04T14:43:58.007661Z",
"structure_string": "Lu1 Tl1\n1.0\n3.504628 0.000000 0.000000\n0.000000 3.504628 0.000000\n0.000000 0.000000 4.241463\nLu Tl\n1 1\ndirect\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 0.500000 Tl\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Lu",
"Tl"
],
"chemical_system": "Lu-Tl",
"density": 12.091773226855969,
"density_atomic": 0.038391091524266896,
"volume": 52.095419030631255,
"volume_molar": 15.68629731768221,
"formula_full": "Lu1 Tl1",
"formula_reduced": "LuTl",
"formula_anonymous": "AB",
"energy": -7.39653252,
"energy_per_atom": -3.69826626,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.39653252,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0989902,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:15.108000Z",
"spacegroup": 123
},
{
"id": "mp-1058171",
"created_at": "2022-09-04T14:43:50.241273Z",
"structure_string": "Na1 S1\n1.0\n0.000000 2.869990 2.869990\n2.869990 0.000000 2.869990\n2.869990 2.869990 0.000000\nNa S\n1 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Na",
"S"
],
"chemical_system": "Na-S",
"density": 1.933627875180506,
"density_atomic": 0.04230180018228145,
"volume": 47.279311787722,
"volume_molar": 14.236133531079457,
"formula_full": "Na1 S1",
"formula_reduced": "NaS",
"formula_anonymous": "AB",
"energy": -6.60585111,
"energy_per_atom": -3.302925555,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.10285111,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9998204,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:22.887000Z",
"spacegroup": 225
},
{
"id": "mp-1779",
"created_at": "2022-09-04T14:43:57.333554Z",
"structure_string": "Yb1 Te1\n1.0\n0.000000 3.180275 3.180275\n3.180275 0.000000 3.180275\n3.180275 3.180275 0.000000\nYb Te\n1 1\ndirect\n0.500000 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 Te\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Yb",
"Te"
],
"chemical_system": "Te-Yb",
"density": 7.760180781831621,
"density_atomic": 0.031088944257175868,
"volume": 64.33155090296658,
"volume_molar": 19.37068274233849,
"formula_full": "Yb1 Te1",
"formula_reduced": "YbTe",
"formula_anonymous": "AB",
"energy": -8.43605007,
"energy_per_atom": -4.218025035,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.01405007,
"band_gap": 1.4678,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007895,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:40.980000Z",
"spacegroup": 225
},
{
"id": "mp-33",
"created_at": "2022-09-04T14:43:53.649143Z",
"structure_string": "Ru2\n1.0\n1.366465 -2.366787 0.000000\n1.366465 2.366787 0.000000\n0.000000 0.000000 4.313923\nRu\n2\ndirect\n0.333333 0.666667 0.750000 Ru\n0.666667 0.333333 0.250000 Ru\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ru"
],
"chemical_system": "Ru",
"density": 12.029325778163212,
"density_atomic": 0.07167536668549511,
"volume": 27.903589370889655,
"volume_molar": 8.401967145036867,
"formula_full": "Ru2",
"formula_reduced": "Ru",
"formula_anonymous": "A",
"energy": -18.54877931,
"energy_per_atom": -9.274389655,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.54877931,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0019915,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:24.051000Z",
"spacegroup": 194
},
{
"id": "mp-10759",
"created_at": "2022-09-04T14:43:51.543939Z",
"structure_string": "Ge1 Se1\n1.0\n0.000000 2.832861 2.832861\n2.832861 0.000000 2.832861\n2.832861 2.832861 0.000000\nGe Se\n1 1\ndirect\n0.000000 0.000000 0.000000 Ge\n0.500000 0.500000 0.500000 Se\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ge",
"Se"
],
"chemical_system": "Ge-Se",
"density": 5.536591817599165,
"density_atomic": 0.04398698584138357,
"volume": 45.467993810986975,
"volume_molar": 13.690732940228619,
"formula_full": "Ge1 Se1",
"formula_reduced": "GeSe",
"formula_anonymous": "AB",
"energy": -9.005523629999999,
"energy_per_atom": -4.5027618149999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.53352363,
"band_gap": 0.0153000000000007,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016941,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:24.363000Z",
"spacegroup": 225
},
{
"id": "mp-10192",
"created_at": "2022-09-04T14:43:55.900499Z",
"structure_string": "Lu1 P1\n1.0\n0.000000 2.770359 2.770359\n2.770359 0.000000 2.770359\n2.770359 2.770359 0.000000\nLu P\n1 1\ndirect\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 0.500000 P\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Lu",
"P"
],
"chemical_system": "Lu-P",
"density": 8.041799915861079,
"density_atomic": 0.04703182663158986,
"volume": 42.52439556869476,
"volume_molar": 12.804394792430005,
"formula_full": "Lu1 P1",
"formula_reduced": "LuP",
"formula_anonymous": "AB",
"energy": -13.10634984,
"energy_per_atom": -6.55317492,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.10634984,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0021909,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:22.288000Z",
"spacegroup": 225
},
{
"id": "mp-1038887",
"created_at": "2022-09-04T14:43:53.524204Z",
"structure_string": "Ce1 Mg1\n1.0\n5.998397 -1.552547 0.000000\n5.998397 1.552547 0.000000\n5.596556 0.000000 2.658896\nCe Mg\n1 1\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Mg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ce",
"Mg"
],
"chemical_system": "Ce-Mg",
"density": 5.513089896030888,
"density_atomic": 0.04038486980118742,
"volume": 49.52349753375198,
"volume_molar": 14.911873653788362,
"formula_full": "Ce1 Mg1",
"formula_reduced": "CeMg",
"formula_anonymous": "AB",
"energy": -7.50998096,
"energy_per_atom": -3.75499048,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.50998096,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007669,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:28.521000Z",
"spacegroup": 166
},
{
"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-1217896",
"created_at": "2022-09-04T14:43:50.904881Z",
"structure_string": "Ta1 Pd1\n1.0\n4.740757 -1.437984 0.000000\n4.740757 1.437984 0.000000\n4.304583 0.000000 2.452172\nTa Pd\n1 1\ndirect\n0.500000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ta",
"Pd"
],
"chemical_system": "Pd-Ta",
"density": 14.272651050043308,
"density_atomic": 0.05982012580628409,
"volume": 33.43356392256033,
"volume_molar": 10.067081402505803,
"formula_full": "Ta1 Pd1",
"formula_reduced": "TaPd",
"formula_anonymous": "AB",
"energy": -17.3272475,
"energy_per_atom": -8.66362375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.3272475,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0018618,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:25.804000Z",
"spacegroup": 166
},
{
"id": "mp-1611",
"created_at": "2022-09-04T14:43:54.079774Z",
"structure_string": "Sm1 O1\n1.0\n0.000000 2.483223 2.483223\n2.483223 0.000000 2.483223\n2.483223 2.483223 0.000000\nSm O\n1 1\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.500000 O\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sm",
"O"
],
"chemical_system": "O-Sm",
"density": 9.020264673656614,
"density_atomic": 0.0653059623633986,
"volume": 30.62507507156683,
"volume_molar": 9.221425643327127,
"formula_full": "Sm1 O1",
"formula_reduced": "SmO",
"formula_anonymous": "AB",
"energy": -15.88087739,
"energy_per_atom": -7.940438695,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.19387739,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.002261,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:24.421000Z",
"spacegroup": 225
},
{
"id": "mp-1009837",
"created_at": "2022-09-04T14:43:50.463752Z",
"structure_string": "Tc1 C1\n1.0\n0.000000 2.170000 2.170000\n2.170000 0.000000 2.170000\n2.170000 2.170000 0.000000\nTc C\n1 1\ndirect\n0.000000 0.000000 0.000000 Tc\n0.500000 0.500000 0.500000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tc",
"C"
],
"chemical_system": "C-Tc",
"density": 8.938709603728746,
"density_atomic": 0.09786351230384115,
"volume": 20.436626,
"volume_molar": 6.153611921573788,
"formula_full": "Tc1 C1",
"formula_reduced": "TcC",
"formula_anonymous": "AB",
"energy": -18.28806143,
"energy_per_atom": -9.144030715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.28806143,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.4283744,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:20.646000Z",
"spacegroup": 225
},
{
"id": "mp-49",
"created_at": "2022-09-04T14:45:25.905612Z",
"structure_string": "Os2\n1.0\n1.379258 -2.388944 0.000000\n1.379258 2.388944 0.000000\n0.000000 0.000000 4.356799\nOs\n2\ndirect\n0.333333 0.666667 0.750000 Os\n0.666667 0.333333 0.250000 Os\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Os"
],
"chemical_system": "Os",
"density": 22.004378159978412,
"density_atomic": 0.06965960293405543,
"volume": 28.71104507864246,
"volume_molar": 8.645097741514508,
"formula_full": "Os2",
"formula_reduced": "Os",
"formula_anonymous": "A",
"energy": -22.45473251,
"energy_per_atom": -11.227366255,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.45473251,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.22e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:54.479000Z",
"spacegroup": 194
}
]
}