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=10192",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-id&page=10190",
"results": [
{
"id": "mp-1113464",
"created_at": "2022-09-04T14:47:28.538939Z",
"structure_string": "Rb2 Pr1 Au1 Cl6\n1.0\n0.000000 5.500350 5.500350\n5.500350 0.000000 5.500350\n5.500350 5.500350 0.000000\nRb Pr Au Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Au\n0.750334 0.249666 0.249666 Cl\n0.249666 0.249666 0.750334 Cl\n0.249666 0.750334 0.750334 Cl\n0.249666 0.750334 0.249666 Cl\n0.750334 0.249666 0.750334 Cl\n0.750334 0.750334 0.249666 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Pr",
"Au",
"Cl"
],
"chemical_system": "Au-Cl-Pr-Rb",
"density": 3.599989262861022,
"density_atomic": 0.030046855453164083,
"volume": 332.81352904258574,
"volume_molar": 20.042499187267996,
"formula_full": "Rb2 Pr1 Au1 Cl6",
"formula_reduced": "Rb2PrAuCl6",
"formula_anonymous": "ABC2D6",
"energy": -41.211293690000005,
"energy_per_atom": -4.121129369,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.52729369,
"band_gap": 2.2207,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005578,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:08.292000Z",
"spacegroup": 225
},
{
"id": "mp-1113451",
"created_at": "2022-09-04T14:45:55.483814Z",
"structure_string": "Cs2 Sc1 Ag1 Br6\n1.0\n0.000000 5.582014 5.582014\n5.582014 0.000000 5.582014\n5.582014 5.582014 0.000000\nCs Sc Ag 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 Sc\n0.500000 0.500000 0.500000 Ag\n0.760054 0.239946 0.239946 Br\n0.239946 0.239946 0.760054 Br\n0.239946 0.760054 0.760054 Br\n0.239946 0.760054 0.239946 Br\n0.760054 0.239946 0.760054 Br\n0.760054 0.760054 0.239946 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Sc",
"Ag",
"Br"
],
"chemical_system": "Ag-Br-Cs-Sc",
"density": 4.286977605502238,
"density_atomic": 0.02874731184701276,
"volume": 347.85861207538045,
"volume_molar": 20.94853526496177,
"formula_full": "Cs2 Sc1 Ag1 Br6",
"formula_reduced": "Cs2ScAgBr6",
"formula_anonymous": "ABC2D6",
"energy": -39.15614625,
"energy_per_atom": -3.915614625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.95214625,
"band_gap": 2.8546,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000254,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:11.609000Z",
"spacegroup": 225
},
{
"id": "mp-1113450",
"created_at": "2022-09-04T14:40:18.791653Z",
"structure_string": "Rb2 Tm1 Au1 Cl6\n1.0\n0.000000 5.354559 5.354559\n5.354559 0.000000 5.354559\n5.354559 5.354559 0.000000\nRb Tm Au Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Tm\n0.500000 0.500000 0.500000 Au\n0.757330 0.242670 0.242670 Cl\n0.242670 0.242670 0.757330 Cl\n0.242670 0.757330 0.757330 Cl\n0.242670 0.757330 0.242670 Cl\n0.757330 0.242670 0.757330 Cl\n0.757330 0.757330 0.242670 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Tm",
"Au",
"Cl"
],
"chemical_system": "Au-Cl-Rb-Tm",
"density": 4.053695498831459,
"density_atomic": 0.03256858419417985,
"volume": 307.04435723635305,
"volume_molar": 18.490643388410426,
"formula_full": "Rb2 Tm1 Au1 Cl6",
"formula_reduced": "Rb2TmAuCl6",
"formula_anonymous": "ABC2D6",
"energy": -41.23621376,
"energy_per_atom": -4.123621376,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.55221376,
"band_gap": 2.1063,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005135,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.431000Z",
"spacegroup": 225
},
{
"id": "mp-1113444",
"created_at": "2022-09-04T14:46:17.830474Z",
"structure_string": "Cs2 Tl1 Ag1 Br6\n1.0\n0.000000 5.661343 5.661343\n5.661343 0.000000 5.661343\n5.661343 5.661343 0.000000\nCs Tl Ag 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 Tl\n0.500000 0.500000 0.500000 Ag\n0.748074 0.251926 0.251926 Br\n0.251926 0.251926 0.748074 Br\n0.251926 0.748074 0.748074 Br\n0.251926 0.748074 0.251926 Br\n0.748074 0.251926 0.748074 Br\n0.748074 0.748074 0.251926 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Tl",
"Ag",
"Br"
],
"chemical_system": "Ag-Br-Cs-Tl",
"density": 4.8387756906704125,
"density_atomic": 0.02755570967214504,
"volume": 362.90119612156457,
"volume_molar": 21.85442085016428,
"formula_full": "Cs2 Tl1 Ag1 Br6",
"formula_reduced": "Cs2TlAgBr6",
"formula_anonymous": "ABC2D6",
"energy": -30.36877036,
"energy_per_atom": -3.036877036,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.16477036,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0017424,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:27.643000Z",
"spacegroup": 225
},
{
"id": "mp-1113443",
"created_at": "2022-09-04T14:46:52.608871Z",
"structure_string": "Cs2 Bi1 Au1 Cl6\n1.0\n0.000000 5.469405 5.469405\n5.469405 0.000000 5.469405\n5.469405 5.469405 0.000000\nCs Bi 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 Bi\n0.500000 0.500000 0.500000 Au\n0.749720 0.250280 0.250280 Cl\n0.250280 0.250280 0.749720 Cl\n0.250280 0.749720 0.749720 Cl\n0.250280 0.749720 0.250280 Cl\n0.749720 0.250280 0.749720 Cl\n0.749720 0.749720 0.250280 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Bi",
"Au",
"Cl"
],
"chemical_system": "Au-Bi-Cl-Cs",
"density": 4.488330639055779,
"density_atomic": 0.030559746994101862,
"volume": 327.2278400056792,
"volume_molar": 19.706121131049596,
"formula_full": "Cs2 Bi1 Au1 Cl6",
"formula_reduced": "Cs2BiAuCl6",
"formula_anonymous": "ABC2D6",
"energy": -35.89888463,
"energy_per_atom": -3.589888463,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.21488463,
"band_gap": 0.9914,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005749,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:43.685000Z",
"spacegroup": 225
},
{
"id": "mp-1113442",
"created_at": "2022-09-04T14:40:43.157598Z",
"structure_string": "Cs2 Tl1 Ag1 Cl6\n1.0\n0.000000 5.386604 5.386604\n5.386604 0.000000 5.386604\n5.386604 5.386604 0.000000\nCs Tl Ag 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 Tl\n0.500000 0.500000 0.500000 Ag\n0.752110 0.247890 0.247890 Cl\n0.247890 0.247890 0.752110 Cl\n0.247890 0.752110 0.752110 Cl\n0.247890 0.752110 0.247890 Cl\n0.752110 0.247890 0.752110 Cl\n0.752110 0.752110 0.247890 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Tl",
"Ag",
"Cl"
],
"chemical_system": "Ag-Cl-Cs-Tl",
"density": 4.200779178164053,
"density_atomic": 0.03199078201705355,
"volume": 312.5900453033386,
"volume_molar": 18.82461252991482,
"formula_full": "Cs2 Tl1 Ag1 Cl6",
"formula_reduced": "Cs2TlAgCl6",
"formula_anonymous": "ABC2D6",
"energy": -33.90920668,
"energy_per_atom": -3.3909206679999997,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.22520668,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015917,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:09.859000Z",
"spacegroup": 225
},
{
"id": "mp-1113440",
"created_at": "2022-09-04T14:48:12.380106Z",
"structure_string": "Cs2 Tm1 Ag1 Cl6\n1.0\n0.000000 5.401103 5.401103\n5.401103 0.000000 5.401103\n5.401103 5.401103 0.000000\nCs Tm Ag 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 Tm\n0.500000 0.500000 0.500000 Ag\n0.758248 0.241752 0.241752 Cl\n0.241752 0.241752 0.758248 Cl\n0.241752 0.758248 0.758248 Cl\n0.241752 0.758248 0.241752 Cl\n0.758248 0.241752 0.758248 Cl\n0.758248 0.758248 0.241752 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Tm",
"Ag",
"Cl"
],
"chemical_system": "Ag-Cl-Cs-Tm",
"density": 3.980239571431593,
"density_atomic": 0.031733839876673324,
"volume": 315.1210203008154,
"volume_molar": 18.97703140686328,
"formula_full": "Cs2 Tm1 Ag1 Cl6",
"formula_reduced": "Cs2TmAgCl6",
"formula_anonymous": "ABC2D6",
"energy": -42.3885164,
"energy_per_atom": -4.23885164,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.7045164,
"band_gap": 3.7563,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001659,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:27.206000Z",
"spacegroup": 225
},
{
"id": "mp-1113433",
"created_at": "2022-09-04T14:42:20.295276Z",
"structure_string": "Na3 Sc1 F6\n1.0\n0.000000 4.215315 4.215315\n4.215315 0.000000 4.215315\n4.215315 4.215315 0.000000\nNa Sc F\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Sc\n0.760996 0.239004 0.239004 F\n0.239004 0.239004 0.760996 F\n0.239004 0.760996 0.760996 F\n0.239004 0.760996 0.239004 F\n0.760996 0.239004 0.760996 F\n0.760996 0.760996 0.239004 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Na",
"Sc",
"F"
],
"chemical_system": "F-Na-Sc",
"density": 2.526405897866335,
"density_atomic": 0.06675440089669686,
"volume": 149.80285742471278,
"volume_molar": 9.021338936618314,
"formula_full": "Na3 Sc1 F6",
"formula_reduced": "Na3ScF6",
"formula_anonymous": "AB3C6",
"energy": -55.97712749,
"energy_per_atom": -5.597712749,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -53.20512749000001,
"band_gap": 5.591200000000001,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:37.530000Z",
"spacegroup": 225
},
{
"id": "mp-1113428",
"created_at": "2022-09-04T14:40:22.479052Z",
"structure_string": "Cs1 Rb2 Dy1 Cl6\n1.0\n0.000000 5.902754 5.902754\n5.902754 0.000000 5.902754\n5.902754 5.902754 0.000000\nCs Rb Dy Cl\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 Cs\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Dy\n0.776563 0.223437 0.223437 Cl\n0.223437 0.223437 0.776563 Cl\n0.223437 0.776563 0.776563 Cl\n0.223437 0.776563 0.223437 Cl\n0.776563 0.223437 0.776563 Cl\n0.776563 0.776563 0.223437 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Rb",
"Dy",
"Cl"
],
"chemical_system": "Cl-Cs-Dy-Rb",
"density": 2.741338036561677,
"density_atomic": 0.024311175127450662,
"volume": 411.33346897364186,
"volume_molar": 24.77108049458364,
"formula_full": "Cs1 Rb2 Dy1 Cl6",
"formula_reduced": "CsRb2DyCl6",
"formula_anonymous": "ABC2D6",
"energy": -42.8151254,
"energy_per_atom": -4.28151254,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.1311254,
"band_gap": 4.4591,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.007339,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:55.177000Z",
"spacegroup": 225
},
{
"id": "mp-1113424",
"created_at": "2022-09-04T14:41:11.110164Z",
"structure_string": "Cs2 Al1 Au1 Br6\n1.0\n0.000000 5.460996 5.460996\n5.460996 0.000000 5.460996\n5.460996 5.460996 0.000000\nCs Al Au 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 Al\n0.500000 0.500000 0.500000 Au\n0.765065 0.234935 0.234935 Br\n0.234935 0.234935 0.765065 Br\n0.234935 0.765065 0.765065 Br\n0.234935 0.765065 0.234935 Br\n0.765065 0.234935 0.765065 Br\n0.765065 0.765065 0.234935 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Al",
"Au",
"Br"
],
"chemical_system": "Al-Au-Br-Cs",
"density": 4.940937034008949,
"density_atomic": 0.03070113483768139,
"volume": 325.7208586220202,
"volume_molar": 19.615368590898655,
"formula_full": "Cs2 Al1 Au1 Br6",
"formula_reduced": "Cs2AlAuBr6",
"formula_anonymous": "ABC2D6",
"energy": -33.05466602,
"energy_per_atom": -3.305466602,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.85066602,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006495,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:17.925000Z",
"spacegroup": 225
},
{
"id": "mp-1113421",
"created_at": "2022-09-04T14:44:50.368926Z",
"structure_string": "Cs2 Bi1 Au1 I6\n1.0\n0.000000 6.097956 6.097956\n6.097956 0.000000 6.097956\n6.097956 6.097956 0.000000\nCs Bi Au I\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 Bi\n0.500000 0.500000 0.500000 Au\n0.744828 0.255172 0.255172 I\n0.255172 0.255172 0.744828 I\n0.255172 0.744828 0.744828 I\n0.255172 0.744828 0.255172 I\n0.744828 0.255172 0.744828 I\n0.744828 0.744828 0.255172 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Bi",
"Au",
"I"
],
"chemical_system": "Au-Bi-Cs-I",
"density": 5.247692802227887,
"density_atomic": 0.022050434176376147,
"volume": 453.5058094553782,
"volume_molar": 27.310758200180267,
"formula_full": "Cs2 Bi1 Au1 I6",
"formula_reduced": "Cs2BiAuI6",
"formula_anonymous": "ABC2D6",
"energy": -28.31350659,
"energy_per_atom": -2.831350659,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.039506589999995,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001522,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:42.150000Z",
"spacegroup": 225
},
{
"id": "mp-1113420",
"created_at": "2022-09-04T14:47:00.457732Z",
"structure_string": "Cs2 Eu1 Au1 Cl6\n1.0\n7.712649 0.000000 0.000000\n3.856325 6.679350 0.000000\n3.856325 2.226450 6.297352\nCs Eu Au 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 Au\n0.252776 0.747224 0.252776 Cl\n0.747224 0.747224 0.252776 Cl\n0.747224 0.252776 0.747224 Cl\n0.747224 0.252776 0.252776 Cl\n0.252776 0.747224 0.747224 Cl\n0.252776 0.252776 0.747224 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Eu",
"Au",
"Cl"
],
"chemical_system": "Au-Cl-Cs-Eu",
"density": 4.235455192570497,
"density_atomic": 0.030825083523228894,
"volume": 324.4111242217491,
"volume_molar": 19.536494541732186,
"formula_full": "Cs2 Eu1 Au1 Cl6",
"formula_reduced": "Cs2EuAuCl6",
"formula_anonymous": "ABC2D6",
"energy": -46.04609894,
"energy_per_atom": -4.604609894,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.36209894,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0000359,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:51.514000Z",
"spacegroup": 225
}
]
}