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=10203",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-id&page=10201",
"results": [
{
"id": "mp-1113067",
"created_at": "2022-09-04T14:46:34.029333Z",
"structure_string": "Cs2 Sc1 In1 Cl6\n1.0\n0.000000 5.577710 5.577710\n5.577710 0.000000 5.577710\n5.577710 5.577710 0.000000\nCs Sc In Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 In\n0.775122 0.224878 0.224878 Cl\n0.224878 0.224878 0.775122 Cl\n0.224878 0.775122 0.775122 Cl\n0.224878 0.775122 0.224878 Cl\n0.775122 0.224878 0.775122 Cl\n0.775122 0.775122 0.224878 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Sc",
"In",
"Cl"
],
"chemical_system": "Cl-Cs-In-Sc",
"density": 3.054063558033775,
"density_atomic": 0.028813911183785984,
"volume": 347.05458541244997,
"volume_molar": 20.900115647572164,
"formula_full": "Cs2 Sc1 In1 Cl6",
"formula_reduced": "Cs2ScInCl6",
"formula_anonymous": "ABC2D6",
"energy": -44.13362648,
"energy_per_atom": -4.413362648,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.449626480000006,
"band_gap": 2.8043,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.000777,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:34.295000Z",
"spacegroup": 225
},
{
"id": "mp-1113063",
"created_at": "2022-09-04T14:40:26.849388Z",
"structure_string": "Cs2 Y1 In1 Br6\n1.0\n0.000000 5.992141 5.992141\n5.992141 0.000000 5.992141\n5.992141 5.992141 0.000000\nCs Y In Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 In\n0.766047 0.233953 0.233953 Br\n0.233953 0.233953 0.766047 Br\n0.233953 0.766047 0.766047 Br\n0.233953 0.766047 0.233953 Br\n0.766047 0.233953 0.766047 Br\n0.766047 0.766047 0.233953 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Y",
"In",
"Br"
],
"chemical_system": "Br-Cs-In-Y",
"density": 3.662017082091933,
"density_atomic": 0.023239347604090993,
"volume": 430.3046785289113,
"volume_molar": 25.913553437876544,
"formula_full": "Cs2 Y1 In1 Br6",
"formula_reduced": "Cs2YInBr6",
"formula_anonymous": "ABC2D6",
"energy": -40.47127834999999,
"energy_per_atom": -4.0471278349999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.26727835,
"band_gap": 2.9636,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0007524,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:57.953000Z",
"spacegroup": 225
},
{
"id": "mp-1113062",
"created_at": "2022-09-04T14:41:00.479634Z",
"structure_string": "Cs2 Y1 In1 F6\n1.0\n0.000000 4.876627 4.876627\n4.876627 0.000000 4.876627\n4.876627 4.876627 0.000000\nCs Y In F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 In\n0.774844 0.225156 0.225156 F\n0.225156 0.225156 0.774844 F\n0.225156 0.774844 0.774844 F\n0.225156 0.774844 0.225156 F\n0.774844 0.225156 0.774844 F\n0.774844 0.774844 0.225156 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Y",
"In",
"F"
],
"chemical_system": "Cs-F-In-Y",
"density": 4.177534847288204,
"density_atomic": 0.0431133120779155,
"volume": 231.94692121838702,
"volume_molar": 13.968170084257574,
"formula_full": "Cs2 Y1 In1 F6",
"formula_reduced": "Cs2YInF6",
"formula_anonymous": "ABC2D6",
"energy": -55.7724613,
"energy_per_atom": -5.577246130000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -53.0004613,
"band_gap": 4.0503,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0067585,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:12.178000Z",
"spacegroup": 225
},
{
"id": "mp-1113061",
"created_at": "2022-09-04T14:48:12.801790Z",
"structure_string": "Cs2 K1 Al1 Br6\n1.0\n0.000000 5.724250 5.724250\n5.724250 0.000000 5.724250\n5.724250 5.724250 0.000000\nCs K Al Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Al\n0.778639 0.221361 0.221361 Br\n0.221361 0.221361 0.778639 Br\n0.221361 0.778639 0.778639 Br\n0.221361 0.778639 0.221361 Br\n0.778639 0.221361 0.778639 Br\n0.778639 0.778639 0.221361 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"K",
"Al",
"Br"
],
"chemical_system": "Al-Br-Cs-K",
"density": 3.591308314427506,
"density_atomic": 0.02665718131231968,
"volume": 375.1334352585311,
"volume_molar": 22.591063509092212,
"formula_full": "Cs2 K1 Al1 Br6",
"formula_reduced": "Cs2KAlBr6",
"formula_anonymous": "ABC2D6",
"energy": -34.95457167,
"energy_per_atom": -3.495457167,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.75057167,
"band_gap": 3.2314,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0003929,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:48.340000Z",
"spacegroup": 225
},
{
"id": "mp-1113059",
"created_at": "2022-09-04T14:45:56.804098Z",
"structure_string": "Cs2 K1 Al1 Cl6\n1.0\n0.000000 5.403494 5.403494\n5.403494 0.000000 5.403494\n5.403494 5.403494 0.000000\nCs K Al Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Al\n0.782060 0.217940 0.217940 Cl\n0.217940 0.217940 0.782060 Cl\n0.217940 0.782060 0.782060 Cl\n0.217940 0.782060 0.217940 Cl\n0.782060 0.217940 0.782060 Cl\n0.782060 0.782060 0.217940 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"K",
"Al",
"Cl"
],
"chemical_system": "Al-Cl-Cs-K",
"density": 2.8660231215150804,
"density_atomic": 0.031691732653946744,
"volume": 315.5397058656762,
"volume_molar": 19.002245240920995,
"formula_full": "Cs2 K1 Al1 Cl6",
"formula_reduced": "Cs2KAlCl6",
"formula_anonymous": "ABC2D6",
"energy": -39.72945061,
"energy_per_atom": -3.972945061,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.04545061,
"band_gap": 4.6198,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 4.8e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:08.102000Z",
"spacegroup": 225
},
{
"id": "mp-1113058",
"created_at": "2022-09-04T14:44:55.544022Z",
"structure_string": "Cs2 K1 Er1 Cl6\n1.0\n0.000000 5.651605 5.651605\n5.651605 0.000000 5.651605\n5.651605 5.651605 0.000000\nCs K Er Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Er\n0.768399 0.231601 0.231601 Cl\n0.231601 0.231601 0.768399 Cl\n0.231601 0.768399 0.768399 Cl\n0.231601 0.768399 0.231601 Cl\n0.768399 0.231601 0.768399 Cl\n0.768399 0.768399 0.231601 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"K",
"Er",
"Cl"
],
"chemical_system": "Cl-Cs-Er-K",
"density": 3.1500838760082943,
"density_atomic": 0.027698394869731857,
"volume": 361.03175101051653,
"volume_molar": 21.74184023414603,
"formula_full": "Cs2 K1 Er1 Cl6",
"formula_reduced": "Cs2KErCl6",
"formula_anonymous": "ABC2D6",
"energy": -43.79376038,
"energy_per_atom": -4.379376038,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.10976038,
"band_gap": 5.2229,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:46.728000Z",
"spacegroup": 225
},
{
"id": "mp-1113057",
"created_at": "2022-09-04T14:48:14.355332Z",
"structure_string": "Cs2 K1 Al1 I6\n1.0\n0.000000 6.190844 6.190844\n6.190844 0.000000 6.190844\n6.190844 6.190844 0.000000\nCs K Al I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Al\n0.775193 0.224807 0.224807 I\n0.224807 0.224807 0.775193 I\n0.224807 0.775193 0.775193 I\n0.224807 0.775193 0.224807 I\n0.775193 0.224807 0.775193 I\n0.775193 0.775193 0.224807 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"K",
"Al",
"I"
],
"chemical_system": "Al-Cs-I-K",
"density": 3.825743459639343,
"density_atomic": 0.021072711557824825,
"volume": 474.5473771877615,
"volume_molar": 28.57791102713513,
"formula_full": "Cs2 K1 Al1 I6",
"formula_reduced": "Cs2KAlI6",
"formula_anonymous": "ABC2D6",
"energy": -29.482438530000003,
"energy_per_atom": -2.948243853,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.20843853,
"band_gap": 1.7447,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0010841,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:44.238000Z",
"spacegroup": 225
},
{
"id": "mp-1113055",
"created_at": "2022-09-04T14:44:15.220838Z",
"structure_string": "Cs2 K1 Bi1 I6\n1.0\n0.000000 6.469633 6.469633\n6.469633 0.000000 6.469633\n6.469633 6.469633 0.000000\nCs K Bi I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Bi\n0.761689 0.238311 0.238311 I\n0.238311 0.238311 0.761689 I\n0.238311 0.761689 0.761689 I\n0.238311 0.761689 0.238311 I\n0.761689 0.238311 0.761689 I\n0.761689 0.761689 0.238311 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"K",
"Bi",
"I"
],
"chemical_system": "Bi-Cs-I-K",
"density": 3.910192320604072,
"density_atomic": 0.01846422434623896,
"volume": 541.5878735267281,
"volume_molar": 32.61518408287034,
"formula_full": "Cs2 K1 Bi1 I6",
"formula_reduced": "Cs2KBiI6",
"formula_anonymous": "ABC2D6",
"energy": -29.12708196,
"energy_per_atom": -2.912708196,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.853081960000004,
"band_gap": 2.6566,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006927,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:29.128000Z",
"spacegroup": 225
},
{
"id": "mp-1113050",
"created_at": "2022-09-04T14:41:26.898399Z",
"structure_string": "Cs2 K1 Ga1 Cl6\n1.0\n0.000000 5.446962 5.446962\n5.446962 0.000000 5.446962\n5.446962 5.446962 0.000000\nCs K Ga Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Ga\n0.779248 0.220752 0.220752 Cl\n0.220752 0.220752 0.779248 Cl\n0.220752 0.779248 0.779248 Cl\n0.220752 0.779248 0.220752 Cl\n0.779248 0.220752 0.779248 Cl\n0.779248 0.779248 0.220752 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"K",
"Ga",
"Cl"
],
"chemical_system": "Cl-Cs-Ga-K",
"density": 3.017541065710021,
"density_atomic": 0.03093904954062779,
"volume": 323.2161345767407,
"volume_molar": 19.46453058324236,
"formula_full": "Cs2 K1 Ga1 Cl6",
"formula_reduced": "Cs2KGaCl6",
"formula_anonymous": "ABC2D6",
"energy": -37.16746371,
"energy_per_atom": -3.716746371,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.48346371,
"band_gap": 3.3316,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0016256,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:24.493000Z",
"spacegroup": 225
},
{
"id": "mp-1113049",
"created_at": "2022-09-04T14:40:12.989016Z",
"structure_string": "Cs2 K1 Gd1 Cl6\n1.0\n0.000000 5.702031 5.702031\n5.702031 0.000000 5.702031\n5.702031 5.702031 0.000000\nCs K Gd Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Gd\n0.765758 0.234242 0.234242 Cl\n0.234242 0.234242 0.765758 Cl\n0.234242 0.765758 0.765758 Cl\n0.234242 0.765758 0.234242 Cl\n0.765758 0.234242 0.765758 Cl\n0.765758 0.765758 0.234242 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"K",
"Gd",
"Cl"
],
"chemical_system": "Cl-Cs-Gd-K",
"density": 3.022422253335421,
"density_atomic": 0.02697002084163791,
"volume": 370.7820642304217,
"volume_molar": 22.32901782078961,
"formula_full": "Cs2 K1 Gd1 Cl6",
"formula_reduced": "Cs2KGdCl6",
"formula_anonymous": "ABC2D6",
"energy": -53.1996538,
"energy_per_atom": -5.31996538,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -49.5156538,
"band_gap": 3.2188,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 7.0000259,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.881000Z",
"spacegroup": 225
},
{
"id": "mp-1113048",
"created_at": "2022-09-04T14:48:13.595228Z",
"structure_string": "Cs2 Rb1 Al1 F6\n1.0\n5.980392 -0.000000 -0.000000\n2.990196 5.179172 -0.000000\n2.990196 1.726390 4.882970\nCs Rb Al F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Cs\n0.750000 0.750000 0.750000 Cs\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Al\n0.209991 0.790009 0.209991 F\n0.790009 0.790009 0.209991 F\n0.790009 0.209991 0.790009 F\n0.790009 0.209991 0.209991 F\n0.209991 0.790009 0.790009 F\n0.209991 0.209991 0.790009 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Rb",
"Al",
"F"
],
"chemical_system": "Al-Cs-F-Rb",
"density": 5.4045727091706635,
"density_atomic": 0.06611895148649986,
"volume": 151.24256775369156,
"volume_molar": 9.108040319165676,
"formula_full": "Cs2 Rb1 Al1 F6",
"formula_reduced": "Cs2RbAlF6",
"formula_anonymous": "ABC2D6",
"energy": -50.34015208,
"energy_per_atom": -5.0340152080000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -47.56815208,
"band_gap": 8.3194,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.69e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:38.934000Z",
"spacegroup": 225
},
{
"id": "mp-1113047",
"created_at": "2022-09-04T14:43:05.959325Z",
"structure_string": "Cs2 K1 Sc1 Br6\n1.0\n0.000000 5.835740 5.835740\n5.835740 0.000000 5.835740\n5.835740 5.835740 0.000000\nCs K Sc Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Sc\n0.771519 0.228481 0.228481 Br\n0.228481 0.228481 0.771519 Br\n0.228481 0.771519 0.771519 Br\n0.228481 0.771519 0.228481 Br\n0.771519 0.228481 0.771519 Br\n0.771519 0.771519 0.228481 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"K",
"Sc",
"Br"
],
"chemical_system": "Br-Cs-K-Sc",
"density": 3.464473659207052,
"density_atomic": 0.025158352671903153,
"volume": 397.48230460128656,
"volume_molar": 23.936943879181435,
"formula_full": "Cs2 K1 Sc1 Br6",
"formula_reduced": "Cs2KScBr6",
"formula_anonymous": "ABC2D6",
"energy": -40.26769892,
"energy_per_atom": -4.026769892,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.06369892,
"band_gap": 3.1875,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012485,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:59.662000Z",
"spacegroup": 225
}
]
}