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=chemical_system&page=123",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=chemical_system&page=121",
"results": [
{
"id": "mp-998750",
"created_at": "2022-09-04T14:45:31.342121Z",
"structure_string": "K2 Ag2 Cl6\n1.0\n6.222089 -3.632003 0.000000\n6.222089 3.632003 0.000000\n4.101990 0.000000 5.922796\nK Ag Cl\n2 2 6\ndirect\n0.735492 0.735492 0.735492 K\n0.235492 0.235492 0.235492 K\n0.996098 0.996098 0.996098 Ag\n0.496098 0.496098 0.496098 Ag\n0.747388 0.197145 0.295377 Cl\n0.197145 0.295377 0.747388 Cl\n0.295377 0.747388 0.197145 Cl\n0.795377 0.697145 0.247388 Cl\n0.247388 0.795377 0.697145 Cl\n0.697145 0.247388 0.795377 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Ag",
"Cl"
],
"chemical_system": "Ag-Cl-K",
"density": 3.142814976887579,
"density_atomic": 0.037356038338015186,
"volume": 267.6943392528739,
"volume_molar": 16.120929916359998,
"formula_full": "K2 Ag2 Cl6",
"formula_reduced": "KAgCl3",
"formula_anonymous": "ABC3",
"energy": -32.94369077,
"energy_per_atom": -3.2943690770000003,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.25969077,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.00074,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:58.713000Z",
"spacegroup": 161
},
{
"id": "mp-998554",
"created_at": "2022-09-04T14:41:08.817255Z",
"structure_string": "K1 Ag1 Cl3\n1.0\n5.133744 0.000000 0.000000\n0.000000 5.133744 0.000000\n0.000000 0.000000 5.140014\nK Ag Cl\n1 1 3\ndirect\n0.500000 0.500000 0.997811 K\n0.000000 0.000000 0.486040 Ag\n0.500000 0.000000 0.484120 Cl\n0.000000 0.000000 0.985872 Cl\n0.000000 0.500000 0.484120 Cl\n",
"nsites": 5,
"nelements": 3,
"elements": [
"K",
"Ag",
"Cl"
],
"chemical_system": "Ag-Cl-K",
"density": 3.105240826810632,
"density_atomic": 0.03690942553989787,
"volume": 135.46675210631943,
"volume_molar": 16.31599698968564,
"formula_full": "K1 Ag1 Cl3",
"formula_reduced": "KAgCl3",
"formula_anonymous": "ABC3",
"energy": -16.46340847,
"energy_per_atom": -3.292681694,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.621408470000002,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.8e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:14.561000Z",
"spacegroup": 99
},
{
"id": "mp-1112481",
"created_at": "2022-09-04T14:39:19.384550Z",
"structure_string": "K2 La1 Ag1 Cl6\n1.0\n0.000000 5.492533 5.492533\n5.492533 0.000000 5.492533\n5.492533 5.492533 0.000000\nK La Ag Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 Ag\n0.748732 0.251268 0.251268 Cl\n0.251268 0.251268 0.748732 Cl\n0.251268 0.748732 0.748732 Cl\n0.251268 0.748732 0.251268 Cl\n0.748732 0.251268 0.748732 Cl\n0.748732 0.748732 0.251268 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"La",
"Ag",
"Cl"
],
"chemical_system": "Ag-Cl-K-La",
"density": 2.694211212771799,
"density_atomic": 0.030175326618319315,
"volume": 331.39657861827556,
"volume_molar": 19.957168438216616,
"formula_full": "K2 La1 Ag1 Cl6",
"formula_reduced": "K2LaAgCl6",
"formula_anonymous": "ABC2D6",
"energy": -42.56221394,
"energy_per_atom": -4.256221394,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.87821394,
"band_gap": 3.4632,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007314,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.944000Z",
"spacegroup": 225
},
{
"id": "mp-1111986",
"created_at": "2022-09-04T14:41:31.256874Z",
"structure_string": "K2 Lu1 Ag1 Cl6\n1.0\n0.000000 5.300815 5.300815\n5.300815 0.000000 5.300815\n5.300815 5.300815 0.000000\nK Lu Ag Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 0.500000 Ag\n0.757442 0.242558 0.242558 Cl\n0.242558 0.242558 0.757442 Cl\n0.242558 0.757442 0.757442 Cl\n0.242558 0.757442 0.242558 Cl\n0.757442 0.242558 0.757442 Cl\n0.757442 0.757442 0.242558 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Lu",
"Ag",
"Cl"
],
"chemical_system": "Ag-Cl-K-Lu",
"density": 3.1982595583701197,
"density_atomic": 0.03356928273295479,
"volume": 297.8913812234377,
"volume_molar": 17.939438289183627,
"formula_full": "K2 Lu1 Ag1 Cl6",
"formula_reduced": "K2LuAgCl6",
"formula_anonymous": "ABC2D6",
"energy": -42.14566149,
"energy_per_atom": -4.214566149,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.46166149,
"band_gap": 3.6296,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001535,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:23.496000Z",
"spacegroup": 225
},
{
"id": "mp-1110858",
"created_at": "2022-09-04T14:44:49.989343Z",
"structure_string": "K2 Ag1 Mo1 Cl6\n1.0\n0.000000 5.171079 5.171079\n5.171079 0.000000 5.171079\n5.171079 5.171079 0.000000\nK Ag Mo Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Mo\n0.761882 0.238118 0.238118 Cl\n0.238118 0.238118 0.761882 Cl\n0.238118 0.761882 0.761882 Cl\n0.238118 0.761882 0.238118 Cl\n0.761882 0.238118 0.761882 Cl\n0.761882 0.761882 0.238118 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Ag",
"Mo",
"Cl"
],
"chemical_system": "Ag-Cl-K-Mo",
"density": 2.970554397733751,
"density_atomic": 0.03615983885232652,
"volume": 276.5499050158682,
"volume_molar": 16.654224551701883,
"formula_full": "K2 Ag1 Mo1 Cl6",
"formula_reduced": "K2AgMoCl6",
"formula_anonymous": "ABC2D6",
"energy": -42.67295572,
"energy_per_atom": -4.267295572,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.98895572,
"band_gap": 1.0353,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 3.00751,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:45.511000Z",
"spacegroup": 225
},
{
"id": "mp-1110915",
"created_at": "2022-09-04T14:48:00.782410Z",
"structure_string": "K2 Nd1 Ag1 Cl6\n1.0\n0.000000 5.454359 5.454359\n5.454359 0.000000 5.454359\n5.454359 5.454359 0.000000\nK Nd Ag Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Nd\n0.000000 0.000000 0.000000 Ag\n0.749516 0.250484 0.250484 Cl\n0.250484 0.250484 0.749516 Cl\n0.250484 0.749516 0.749516 Cl\n0.250484 0.749516 0.250484 Cl\n0.749516 0.250484 0.749516 Cl\n0.749516 0.749516 0.250484 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Nd",
"Ag",
"Cl"
],
"chemical_system": "Ag-Cl-K-Nd",
"density": 2.778482131063234,
"density_atomic": 0.03081334498569849,
"volume": 324.5347106794584,
"volume_molar": 19.543937092175735,
"formula_full": "K2 Nd1 Ag1 Cl6",
"formula_reduced": "K2NdAgCl6",
"formula_anonymous": "ABC2D6",
"energy": -42.06372786,
"energy_per_atom": -4.206372786,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.37972786,
"band_gap": 3.4986,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004432,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:26.757000Z",
"spacegroup": 225
},
{
"id": "mp-1110913",
"created_at": "2022-09-04T14:46:14.649818Z",
"structure_string": "K2 Pr1 Ag1 Cl6\n1.0\n0.000000 5.472056 5.472056\n5.472056 0.000000 5.472056\n5.472056 5.472056 0.000000\nK Pr Ag Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Ag\n0.750352 0.249648 0.249648 Cl\n0.249648 0.249648 0.750352 Cl\n0.249648 0.750352 0.750352 Cl\n0.249648 0.750352 0.249648 Cl\n0.750352 0.249648 0.750352 Cl\n0.750352 0.750352 0.249648 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Pr",
"Ag",
"Cl"
],
"chemical_system": "Ag-Cl-K-Pr",
"density": 2.734716023360901,
"density_atomic": 0.0305153534530731,
"volume": 327.70388897438556,
"volume_molar": 19.73478947003162,
"formula_full": "K2 Pr1 Ag1 Cl6",
"formula_reduced": "K2PrAgCl6",
"formula_anonymous": "ABC2D6",
"energy": -42.01312686,
"energy_per_atom": -4.201312686,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.32912686,
"band_gap": 3.4664,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004376,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:25.923000Z",
"spacegroup": 225
},
{
"id": "mp-1110873",
"created_at": "2022-09-04T14:41:10.570172Z",
"structure_string": "K2 Ag1 Sb1 Cl6\n1.0\n0.000000 5.353492 5.353492\n5.353492 0.000000 5.353492\n5.353492 5.353492 0.000000\nK Ag Sb Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Sb\n0.752118 0.247882 0.247882 Cl\n0.247882 0.247882 0.752118 Cl\n0.247882 0.752118 0.752118 Cl\n0.247882 0.752118 0.247882 Cl\n0.752118 0.247882 0.752118 Cl\n0.752118 0.752118 0.247882 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Ag",
"Sb",
"Cl"
],
"chemical_system": "Ag-Cl-K-Sb",
"density": 2.8168522736825983,
"density_atomic": 0.03258806172730632,
"volume": 306.8608401346178,
"volume_molar": 18.479591730225255,
"formula_full": "K2 Ag1 Sb1 Cl6",
"formula_reduced": "K2AgSbCl6",
"formula_anonymous": "ABC2D6",
"energy": -36.07287026,
"energy_per_atom": -3.6072870260000003,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.38887026,
"band_gap": 1.6025,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.63e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:14.430000Z",
"spacegroup": 225
},
{
"id": "mp-1112448",
"created_at": "2022-09-04T14:43:15.666967Z",
"structure_string": "K2 Sc1 Ag1 Cl6\n1.0\n0.000000 5.216439 5.216439\n5.216439 0.000000 5.216439\n5.216439 5.216439 0.000000\nK Sc Ag Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Ag\n0.760811 0.239189 0.239189 Cl\n0.239189 0.239189 0.760811 Cl\n0.239189 0.760811 0.760811 Cl\n0.239189 0.760811 0.239189 Cl\n0.760811 0.239189 0.760811 Cl\n0.760811 0.760811 0.239189 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Sc",
"Ag",
"Cl"
],
"chemical_system": "Ag-Cl-K-Sc",
"density": 2.5955178541498336,
"density_atomic": 0.035224724472957505,
"volume": 283.89150375546967,
"volume_molar": 17.096345961835073,
"formula_full": "K2 Sc1 Ag1 Cl6",
"formula_reduced": "K2ScAgCl6",
"formula_anonymous": "ABC2D6",
"energy": -43.38060501999999,
"energy_per_atom": -4.338060501999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.69660502,
"band_gap": 3.248,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0002004,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:09.271000Z",
"spacegroup": 225
},
{
"id": "mp-1112087",
"created_at": "2022-09-04T14:43:06.135587Z",
"structure_string": "K2 Sm1 Ag1 Cl6\n1.0\n0.000000 5.418413 5.418413\n5.418413 0.000000 5.418413\n5.418413 5.418413 0.000000\nK Sm Ag Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.500000 Ag\n0.752001 0.247999 0.247999 Cl\n0.247999 0.247999 0.752001 Cl\n0.247999 0.752001 0.752001 Cl\n0.247999 0.752001 0.247999 Cl\n0.752001 0.247999 0.752001 Cl\n0.752001 0.752001 0.247999 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Sm",
"Ag",
"Cl"
],
"chemical_system": "Ag-Cl-K-Sm",
"density": 2.8660785040673136,
"density_atomic": 0.03143067374582395,
"volume": 318.16053581507,
"volume_molar": 19.16007530955373,
"formula_full": "K2 Sm1 Ag1 Cl6",
"formula_reduced": "K2SmAgCl6",
"formula_anonymous": "ABC2D6",
"energy": -42.12186613,
"energy_per_atom": -4.212186613,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.43786613,
"band_gap": 3.5685,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.28e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:59.716000Z",
"spacegroup": 225
},
{
"id": "mp-1112083",
"created_at": "2022-09-04T14:47:59.405013Z",
"structure_string": "K2 Ta1 Ag1 Cl6\n1.0\n0.000000 5.199900 5.199900\n5.199900 0.000000 5.199900\n5.199900 5.199900 0.000000\nK Ta Ag Cl\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Ag\n0.261579 0.261579 0.738421 Cl\n0.261579 0.738421 0.738421 Cl\n0.738421 0.738421 0.261579 Cl\n0.261579 0.738421 0.261579 Cl\n0.738421 0.261579 0.738421 Cl\n0.738421 0.261579 0.261579 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Ta",
"Ag",
"Cl"
],
"chemical_system": "Ag-Cl-K-Ta",
"density": 3.42342179240741,
"density_atomic": 0.035561905955802595,
"volume": 281.19977631199805,
"volume_molar": 16.93424634631366,
"formula_full": "K2 Ta1 Ag1 Cl6",
"formula_reduced": "K2TaAgCl6",
"formula_anonymous": "ABC2D6",
"energy": -44.04123435,
"energy_per_atom": -4.404123435000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.35723435,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.99962,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:27.963000Z",
"spacegroup": 225
},
{
"id": "mp-1112446",
"created_at": "2022-09-04T14:42:43.414901Z",
"structure_string": "K2 Tb1 Ag1 Cl6\n1.0\n0.000000 5.367859 5.367859\n5.367859 0.000000 5.367859\n5.367859 5.367859 0.000000\nK Tb Ag Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.500000 Ag\n0.754208 0.245792 0.245792 Cl\n0.245792 0.245792 0.754208 Cl\n0.245792 0.754208 0.754208 Cl\n0.245792 0.754208 0.245792 Cl\n0.754208 0.245792 0.754208 Cl\n0.754208 0.754208 0.245792 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Tb",
"Ag",
"Cl"
],
"chemical_system": "Ag-Cl-K-Tb",
"density": 2.99380007099504,
"density_atomic": 0.03232709696112669,
"volume": 309.33801485561764,
"volume_molar": 18.628770678795007,
"formula_full": "K2 Tb1 Ag1 Cl6",
"formula_reduced": "K2TbAgCl6",
"formula_anonymous": "ABC2D6",
"energy": -42.1884184,
"energy_per_atom": -4.2188418400000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.5044184,
"band_gap": 3.6214,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002069,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:04.701000Z",
"spacegroup": 225
}
]
}