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=10198",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-id&page=10196",
"results": [
{
"id": "mp-1113232",
"created_at": "2022-09-04T14:39:35.865053Z",
"structure_string": "Cs2 Ag1 Mo1 Cl6\n1.0\n0.000000 5.264002 5.264002\n5.264002 0.000000 5.264002\n5.264002 5.264002 0.000000\nCs Ag Mo 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 Ag\n0.000000 0.000000 0.000000 Mo\n0.764394 0.235606 0.235606 Cl\n0.235606 0.235606 0.764394 Cl\n0.235606 0.764394 0.764394 Cl\n0.235606 0.764394 0.235606 Cl\n0.764394 0.235606 0.764394 Cl\n0.764394 0.764394 0.235606 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Ag",
"Mo",
"Cl"
],
"chemical_system": "Ag-Cl-Cs-Mo",
"density": 3.8839171105488695,
"density_atomic": 0.034278504595048935,
"volume": 291.7280120044783,
"volume_molar": 17.568271519259383,
"formula_full": "Cs2 Ag1 Mo1 Cl6",
"formula_reduced": "Cs2AgMoCl6",
"formula_anonymous": "ABC2D6",
"energy": -42.79671352999999,
"energy_per_atom": -4.2796713529999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.11271353,
"band_gap": 0.9531,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 2.9987001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:28.845000Z",
"spacegroup": 225
},
{
"id": "mp-1113231",
"created_at": "2022-09-04T14:45:08.218985Z",
"structure_string": "Cs3 Ga1 Cl6\n1.0\n0.000000 5.663878 5.663878\n5.663878 0.000000 5.663878\n5.663878 5.663878 0.000000\nCs Ga Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Cs\n0.000000 0.000000 0.000000 Ga\n0.787947 0.212053 0.212053 Cl\n0.212053 0.212053 0.787947 Cl\n0.212053 0.787947 0.787947 Cl\n0.212053 0.787947 0.212053 Cl\n0.787947 0.212053 0.787947 Cl\n0.787947 0.787947 0.212053 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Cs",
"Ga",
"Cl"
],
"chemical_system": "Cl-Cs-Ga",
"density": 3.112611247343158,
"density_atomic": 0.02751872663824395,
"volume": 363.3889071779423,
"volume_molar": 21.88379149648143,
"formula_full": "Cs3 Ga1 Cl6",
"formula_reduced": "Cs3GaCl6",
"formula_anonymous": "AB3C6",
"energy": -36.68665148,
"energy_per_atom": -3.668665148,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.00265148,
"band_gap": 3.6339,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0003667,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:49.591000Z",
"spacegroup": 225
},
{
"id": "mp-1113230",
"created_at": "2022-09-04T14:42:06.985864Z",
"structure_string": "Cs2 Pr1 Ag1 F6\n1.0\n0.000000 4.804842 4.804842\n4.804842 0.000000 4.804842\n4.804842 4.804842 0.000000\nCs Pr Ag F\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 Pr\n0.000000 0.000000 0.000000 Ag\n0.739808 0.260192 0.260192 F\n0.260192 0.260192 0.739808 F\n0.260192 0.739808 0.739808 F\n0.260192 0.739808 0.260192 F\n0.739808 0.260192 0.739808 F\n0.739808 0.739808 0.260192 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Pr",
"Ag",
"F"
],
"chemical_system": "Ag-Cs-F-Pr",
"density": 4.704791414287996,
"density_atomic": 0.045074681948517145,
"volume": 221.8540335220042,
"volume_molar": 13.360362180432677,
"formula_full": "Cs2 Pr1 Ag1 F6",
"formula_reduced": "Cs2PrAgF6",
"formula_anonymous": "ABC2D6",
"energy": -52.3807994,
"energy_per_atom": -5.23807994,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -49.6087994,
"band_gap": 3.2577,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.73e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:31.749000Z",
"spacegroup": 225
},
{
"id": "mp-1113229",
"created_at": "2022-09-04T14:43:19.555260Z",
"structure_string": "Cs2 Nd1 Ag1 F6\n1.0\n0.000000 4.786168 4.786168\n4.786168 0.000000 4.786168\n4.786168 4.786168 0.000000\nCs Nd Ag F\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 Nd\n0.000000 0.000000 0.000000 Ag\n0.738654 0.261346 0.261346 F\n0.261346 0.261346 0.738654 F\n0.261346 0.738654 0.738654 F\n0.261346 0.738654 0.261346 F\n0.738654 0.261346 0.738654 F\n0.738654 0.738654 0.261346 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Nd",
"Ag",
"F"
],
"chemical_system": "Ag-Cs-F-Nd",
"density": 4.785326340664483,
"density_atomic": 0.045604341378620634,
"volume": 219.27736916485787,
"volume_molar": 13.205191825932577,
"formula_full": "Cs2 Nd1 Ag1 F6",
"formula_reduced": "Cs2NdAgF6",
"formula_anonymous": "ABC2D6",
"energy": -52.50800703,
"energy_per_atom": -5.250800703,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -49.73600703000001,
"band_gap": 3.3086,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:16.258000Z",
"spacegroup": 225
},
{
"id": "mp-1113227",
"created_at": "2022-09-04T14:42:59.148141Z",
"structure_string": "Cs2 Ag1 Sb1 F6\n1.0\n6.666980 -0.000000 -0.000000\n3.333491 5.773774 -0.000000\n3.333491 1.924591 5.443567\nCs Ag Sb 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 Ag\n0.000000 0.000000 0.000000 Sb\n0.234569 0.765431 0.234569 F\n0.765431 0.765431 0.234569 F\n0.765431 0.234569 0.765431 F\n0.765431 0.234569 0.234569 F\n0.234569 0.765431 0.765431 F\n0.234569 0.234569 0.765431 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Ag",
"Sb",
"F"
],
"chemical_system": "Ag-Cs-F-Sb",
"density": 4.82947676784753,
"density_atomic": 0.047722973380103874,
"volume": 209.54268545574504,
"volume_molar": 12.618955470429015,
"formula_full": "Cs2 Ag1 Sb1 F6",
"formula_reduced": "Cs2AgSbF6",
"formula_anonymous": "ABC2D6",
"energy": -45.56818334,
"energy_per_atom": -4.556818334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.79618334,
"band_gap": 2.3185,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004114,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:01.230000Z",
"spacegroup": 225
},
{
"id": "mp-1113226",
"created_at": "2022-09-04T14:48:08.176805Z",
"structure_string": "Cs2 Ag1 Mo1 F6\n1.0\n6.490178 0.000000 0.000000\n3.245089 5.620659 0.000000\n3.245089 1.873553 5.299208\nCs Ag Mo 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 Ag\n0.000000 0.000000 0.000000 Mo\n0.227605 0.772395 0.227605 F\n0.772395 0.772395 0.227605 F\n0.772395 0.227605 0.772395 F\n0.772395 0.227605 0.227605 F\n0.227605 0.772395 0.772395 F\n0.227605 0.227605 0.772395 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Ag",
"Mo",
"F"
],
"chemical_system": "Ag-Cs-F-Mo",
"density": 5.013218747467758,
"density_atomic": 0.05173032272188413,
"volume": 193.31021872340986,
"volume_molar": 11.641413474987617,
"formula_full": "Cs2 Ag1 Mo1 F6",
"formula_reduced": "Cs2AgMoF6",
"formula_anonymous": "ABC2D6",
"energy": -53.01386423,
"energy_per_atom": -5.301386423,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -47.03986423,
"band_gap": 2.7943,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 2.9998053,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:25.837000Z",
"spacegroup": 225
},
{
"id": "mp-1113222",
"created_at": "2022-09-04T14:44:24.766413Z",
"structure_string": "Cs2 Ta1 Ag1 Cl6\n1.0\n0.000000 5.282661 5.282661\n5.282661 0.000000 5.282661\n5.282661 5.282661 0.000000\nCs Ta Ag 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 Ta\n0.000000 0.000000 0.000000 Ag\n0.736328 0.263672 0.263672 Cl\n0.263672 0.263672 0.736328 Cl\n0.263672 0.736328 0.736328 Cl\n0.263672 0.736328 0.263672 Cl\n0.736328 0.263672 0.736328 Cl\n0.736328 0.736328 0.263672 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Ta",
"Ag",
"Cl"
],
"chemical_system": "Ag-Cl-Cs-Ta",
"density": 4.321669333702115,
"density_atomic": 0.033916558528656236,
"volume": 294.84123489566196,
"volume_molar": 17.755754183939,
"formula_full": "Cs2 Ta1 Ag1 Cl6",
"formula_reduced": "Cs2TaAgCl6",
"formula_anonymous": "ABC2D6",
"energy": -44.19946817,
"energy_per_atom": -4.4199468170000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.515468170000005,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9994924,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:32.285000Z",
"spacegroup": 225
},
{
"id": "mp-1113220",
"created_at": "2022-09-04T14:47:18.180121Z",
"structure_string": "Cs2 Al1 Au1 Cl6\n1.0\n0.000000 5.185595 5.185595\n5.185595 0.000000 5.185595\n5.185595 5.185595 0.000000\nCs Al Au 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 Al\n0.500000 0.500000 0.500000 Au\n0.770850 0.229150 0.229150 Cl\n0.229150 0.229150 0.770850 Cl\n0.229150 0.770850 0.770850 Cl\n0.229150 0.770850 0.229150 Cl\n0.770850 0.229150 0.770850 Cl\n0.770850 0.770850 0.229150 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Al",
"Au",
"Cl"
],
"chemical_system": "Al-Au-Cl-Cs",
"density": 4.182687644657916,
"density_atomic": 0.0358570221532911,
"volume": 278.8854009473891,
"volume_molar": 16.794871404142143,
"formula_full": "Cs2 Al1 Au1 Cl6",
"formula_reduced": "Cs2AlAuCl6",
"formula_anonymous": "ABC2D6",
"energy": -37.32903816,
"energy_per_atom": -3.7329038160000003,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.64503816,
"band_gap": 0.8686,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000606,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:03.573000Z",
"spacegroup": 225
},
{
"id": "mp-1113218",
"created_at": "2022-09-04T14:44:08.808312Z",
"structure_string": "Cs2 Ga1 Au1 Cl6\n1.0\n0.000000 5.207629 5.207629\n5.207629 0.000000 5.207629\n5.207629 5.207629 0.000000\nCs Ga Au 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 Ga\n0.500000 0.500000 0.500000 Au\n0.765186 0.234814 0.234814 Cl\n0.234814 0.234814 0.765186 Cl\n0.234814 0.765186 0.765186 Cl\n0.234814 0.765186 0.234814 Cl\n0.765186 0.234814 0.765186 Cl\n0.765186 0.765186 0.234814 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Ga",
"Au",
"Cl"
],
"chemical_system": "Au-Cl-Cs-Ga",
"density": 4.381094320515853,
"density_atomic": 0.03540380123827309,
"volume": 282.4555457392398,
"volume_molar": 17.009870548843207,
"formula_full": "Cs2 Ga1 Au1 Cl6",
"formula_reduced": "Cs2GaAuCl6",
"formula_anonymous": "ABC2D6",
"energy": -35.0058393,
"energy_per_atom": -3.50058393,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.3218393,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009411,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:30.938000Z",
"spacegroup": 225
},
{
"id": "mp-1113213",
"created_at": "2022-09-04T14:46:59.987072Z",
"structure_string": "Cs2 Sc1 Au1 Cl6\n1.0\n0.000000 5.303515 5.303515\n5.303515 0.000000 5.303515\n5.303515 5.303515 0.000000\nCs Sc Au 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 Au\n0.762754 0.237246 0.237246 Cl\n0.237246 0.237246 0.762754 Cl\n0.237246 0.762754 0.762754 Cl\n0.237246 0.762754 0.237246 Cl\n0.762754 0.237246 0.762754 Cl\n0.762754 0.762754 0.237246 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Sc",
"Au",
"Cl"
],
"chemical_system": "Au-Cl-Cs-Sc",
"density": 4.009889248367396,
"density_atomic": 0.03351803883440066,
"volume": 298.3468110830122,
"volume_molar": 17.966864916390275,
"formula_full": "Cs2 Sc1 Au1 Cl6",
"formula_reduced": "Cs2ScAuCl6",
"formula_anonymous": "ABC2D6",
"energy": -42.63046251,
"energy_per_atom": -4.2630462510000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.94646251,
"band_gap": 2.0233,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006457,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:45.033000Z",
"spacegroup": 225
},
{
"id": "mp-1113212",
"created_at": "2022-09-04T14:46:22.177494Z",
"structure_string": "Cs2 Ta1 Au1 F6\n1.0\n0.000000 5.220960 5.220960\n5.220960 0.000000 5.220960\n5.220960 5.220960 0.000000\nCs Ta Au 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 Ta\n0.500000 0.500000 0.500000 Au\n0.815664 0.184336 0.184336 F\n0.184336 0.184336 0.815664 F\n0.184336 0.815664 0.815664 F\n0.184336 0.815664 0.184336 F\n0.815664 0.184336 0.815664 F\n0.815664 0.815664 0.184336 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Ta",
"Au",
"F"
],
"chemical_system": "Au-Cs-F-Ta",
"density": 4.420529888854548,
"density_atomic": 0.035133296966225636,
"volume": 284.6302756502815,
"volume_molar": 17.14083584523596,
"formula_full": "Cs2 Ta1 Au1 F6",
"formula_reduced": "Cs2TaAuF6",
"formula_anonymous": "ABC2D6",
"energy": -56.46932753,
"energy_per_atom": -5.646932753,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -53.69732753,
"band_gap": 1.1619,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.67e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:33.034000Z",
"spacegroup": 225
},
{
"id": "mp-1113208",
"created_at": "2022-09-04T14:46:58.649382Z",
"structure_string": "Cs2 Eu1 Cu1 Cl6\n1.0\n7.500422 0.000000 0.000000\n3.750211 6.495556 0.000000\n3.750211 2.165185 6.124069\nCs Eu Cu Cl\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Cs\n0.750000 0.750000 0.750000 Cs\n0.000000 0.000000 0.000000 Eu\n0.500000 0.500000 0.500000 Cu\n0.261551 0.738449 0.261551 Cl\n0.738449 0.738449 0.261551 Cl\n0.738449 0.261551 0.738449 Cl\n0.738449 0.261551 0.261551 Cl\n0.261551 0.738449 0.738449 Cl\n0.261551 0.261551 0.738449 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Eu",
"Cu",
"Cl"
],
"chemical_system": "Cl-Cs-Cu-Eu",
"density": 3.862698465582209,
"density_atomic": 0.03351644087074709,
"volume": 298.36103536661403,
"volume_molar": 17.96772152277088,
"formula_full": "Cs2 Eu1 Cu1 Cl6",
"formula_reduced": "Cs2EuCuCl6",
"formula_anonymous": "ABC2D6",
"energy": -47.95542294,
"energy_per_atom": -4.795542294,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.27142294,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0035239,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:41.292000Z",
"spacegroup": 225
}
]
}