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=10190",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-id&page=10188",
"results": [
{
"id": "mp-1113548",
"created_at": "2022-09-04T14:48:01.499527Z",
"structure_string": "Rb2 Hg1 Bi1 Cl6\n1.0\n0.000000 5.591474 5.591474\n5.591474 0.000000 5.591474\n5.591474 5.591474 0.000000\nRb Hg Bi Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Bi\n0.756779 0.243221 0.243221 Cl\n0.243221 0.243221 0.756779 Cl\n0.243221 0.756779 0.756779 Cl\n0.243221 0.756779 0.243221 Cl\n0.756779 0.243221 0.756779 Cl\n0.756779 0.756779 0.243221 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Hg",
"Bi",
"Cl"
],
"chemical_system": "Bi-Cl-Hg-Rb",
"density": 3.7673504226049124,
"density_atomic": 0.028601649149562532,
"volume": 349.63018907435804,
"volume_molar": 21.055222125511985,
"formula_full": "Rb2 Hg1 Bi1 Cl6",
"formula_reduced": "Rb2HgBiCl6",
"formula_anonymous": "ABC2D6",
"energy": -33.23093222,
"energy_per_atom": -3.323093222,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.54693222,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013733,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:25.788000Z",
"spacegroup": 225
},
{
"id": "mp-1113547",
"created_at": "2022-09-04T14:41:55.702586Z",
"structure_string": "Rb2 Hg1 Bi1 Br6\n1.0\n0.000000 5.845043 5.845043\n5.845043 0.000000 5.845043\n5.845043 5.845043 0.000000\nRb Hg Bi Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Bi\n0.753909 0.246091 0.246091 Br\n0.246091 0.246091 0.753909 Br\n0.246091 0.753909 0.753909 Br\n0.246091 0.753909 0.246091 Br\n0.753909 0.246091 0.753909 Br\n0.753909 0.753909 0.246091 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Hg",
"Bi",
"Br"
],
"chemical_system": "Bi-Br-Hg-Rb",
"density": 4.4068995854516215,
"density_atomic": 0.02503841728033608,
"volume": 399.3862666332947,
"volume_molar": 24.05160315276592,
"formula_full": "Rb2 Hg1 Bi1 Br6",
"formula_reduced": "Rb2HgBiBr6",
"formula_anonymous": "ABC2D6",
"energy": -29.74626257,
"energy_per_atom": -2.9746262569999997,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.54226257,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0024518,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:26.911000Z",
"spacegroup": 225
},
{
"id": "mp-1113546",
"created_at": "2022-09-04T14:41:01.946304Z",
"structure_string": "Rb2 Hg1 Au1 Br6\n1.0\n0.000000 5.546070 5.546070\n5.546070 0.000000 5.546070\n5.546070 5.546070 0.000000\nRb Hg Au Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Au\n0.755865 0.244135 0.244135 Br\n0.244135 0.244135 0.755865 Br\n0.244135 0.755865 0.755865 Br\n0.244135 0.755865 0.244135 Br\n0.755865 0.244135 0.755865 Br\n0.755865 0.755865 0.244135 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Hg",
"Au",
"Br"
],
"chemical_system": "Au-Br-Hg-Rb",
"density": 5.10022813869568,
"density_atomic": 0.029309874853121375,
"volume": 341.1819412437731,
"volume_molar": 20.546456749400512,
"formula_full": "Rb2 Hg1 Au1 Br6",
"formula_reduced": "Rb2HgAuBr6",
"formula_anonymous": "ABC2D6",
"energy": -27.22090692,
"energy_per_atom": -2.722090692,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.01690692,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006243,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:59.851000Z",
"spacegroup": 225
},
{
"id": "mp-1113545",
"created_at": "2022-09-04T14:46:28.459889Z",
"structure_string": "Rb2 Hg1 As1 I6\n1.0\n0.000000 6.005524 6.005524\n6.005524 0.000000 6.005524\n6.005524 6.005524 0.000000\nRb Hg As I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 As\n0.759096 0.240904 0.240904 I\n0.240904 0.240904 0.759096 I\n0.240904 0.759096 0.759096 I\n0.240904 0.759096 0.240904 I\n0.759096 0.240904 0.759096 I\n0.759096 0.759096 0.240904 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Hg",
"As",
"I"
],
"chemical_system": "As-Hg-I-Rb",
"density": 4.630074950413837,
"density_atomic": 0.023084330508555774,
"volume": 433.1942828618611,
"volume_molar": 26.08756947821383,
"formula_full": "Rb2 Hg1 As1 I6",
"formula_reduced": "Rb2HgAsI6",
"formula_anonymous": "ABC2D6",
"energy": -25.44391612,
"energy_per_atom": -2.544391612,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.16991612,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0053863,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:38.949000Z",
"spacegroup": 225
},
{
"id": "mp-1113543",
"created_at": "2022-09-04T14:40:56.039778Z",
"structure_string": "Cs2 Ag1 As1 Cl6\n1.0\n0.000000 5.288138 5.288138\n5.288138 0.000000 5.288138\n5.288138 5.288138 0.000000\nCs Ag As 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 As\n0.760458 0.239542 0.239542 Cl\n0.239542 0.239542 0.760458 Cl\n0.239542 0.760458 0.760458 Cl\n0.239542 0.760458 0.239542 Cl\n0.760458 0.239542 0.760458 Cl\n0.760458 0.760458 0.239542 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Ag",
"As",
"Cl"
],
"chemical_system": "Ag-As-Cl-Cs",
"density": 3.712971088389649,
"density_atomic": 0.033811284047067076,
"volume": 295.7592496658653,
"volume_molar": 17.811038325598236,
"formula_full": "Cs2 Ag1 As1 Cl6",
"formula_reduced": "Cs2AgAsCl6",
"formula_anonymous": "ABC2D6",
"energy": -36.03151581,
"energy_per_atom": -3.603151581,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.34751581,
"band_gap": 1.5886000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006703,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:59.042000Z",
"spacegroup": 225
},
{
"id": "mp-1113542",
"created_at": "2022-09-04T14:46:37.783126Z",
"structure_string": "Cs2 Lu1 Ag1 Cl6\n1.0\n0.000000 5.385252 5.385252\n5.385252 0.000000 5.385252\n5.385252 5.385252 0.000000\nCs Lu 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 Lu\n0.500000 0.500000 0.500000 Ag\n0.759345 0.240655 0.240655 Cl\n0.240655 0.240655 0.759345 Cl\n0.240655 0.759345 0.759345 Cl\n0.240655 0.759345 0.240655 Cl\n0.759345 0.240655 0.759345 Cl\n0.759345 0.759345 0.240655 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Lu",
"Ag",
"Cl"
],
"chemical_system": "Ag-Cl-Cs-Lu",
"density": 4.047561039863931,
"density_atomic": 0.032014882503022514,
"volume": 312.3547306180463,
"volume_molar": 18.810441548337568,
"formula_full": "Cs2 Lu1 Ag1 Cl6",
"formula_reduced": "Cs2LuAgCl6",
"formula_anonymous": "ABC2D6",
"energy": -42.41164316,
"energy_per_atom": -4.241164316,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.72764316,
"band_gap": 3.7052,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001491,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:44.131000Z",
"spacegroup": 225
},
{
"id": "mp-1113539",
"created_at": "2022-09-04T14:39:08.618964Z",
"structure_string": "Cs2 Co1 Ag1 F6\n1.0\n6.325734 0.000000 0.000000\n3.162867 5.478246 0.000000\n3.162867 1.826082 5.164940\nCs Co Ag F\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 Co\n0.500000 0.500000 0.500000 Ag\n0.220418 0.779582 0.220418 F\n0.779582 0.779582 0.220418 F\n0.779582 0.220418 0.779582 F\n0.779582 0.220418 0.220418 F\n0.220418 0.779582 0.779582 F\n0.220418 0.220418 0.779582 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Co",
"Ag",
"F"
],
"chemical_system": "Ag-Co-Cs-F",
"density": 5.071111359856548,
"density_atomic": 0.0558704620807333,
"volume": 178.9854536293241,
"volume_molar": 10.778755957482426,
"formula_full": "Cs2 Co1 Ag1 F6",
"formula_reduced": "Cs2CoAgF6",
"formula_anonymous": "ABC2D6",
"energy": -46.46392641,
"energy_per_atom": -4.646392641,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.05392641,
"band_gap": 1.8768,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.08e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:26.021000Z",
"spacegroup": 225
},
{
"id": "mp-1113538",
"created_at": "2022-09-04T14:39:35.565278Z",
"structure_string": "Cs2 Ce1 Ag1 F6\n1.0\n0.000000 4.790990 4.790990\n4.790990 0.000000 4.790990\n4.790990 4.790990 0.000000\nCs Ce Ag F\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 Ce\n0.500000 0.500000 0.500000 Ag\n0.239555 0.760445 0.760445 F\n0.760445 0.760445 0.239555 F\n0.760445 0.239555 0.239555 F\n0.760445 0.239555 0.760445 F\n0.239555 0.760445 0.239555 F\n0.239555 0.239555 0.760445 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Ce",
"Ag",
"F"
],
"chemical_system": "Ag-Ce-Cs-F",
"density": 4.739740940462439,
"density_atomic": 0.045466781366450174,
"volume": 219.9407941240146,
"volume_molar": 13.245144210809967,
"formula_full": "Cs2 Ce1 Ag1 F6",
"formula_reduced": "Cs2CeAgF6",
"formula_anonymous": "ABC2D6",
"energy": -53.55045033,
"energy_per_atom": -5.355045033,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -50.77845033,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9988319,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.368000Z",
"spacegroup": 225
},
{
"id": "mp-1113536",
"created_at": "2022-09-04T14:45:30.516571Z",
"structure_string": "Cs2 Tl1 Au1 Cl6\n1.0\n0.000000 5.400225 5.400225\n5.400225 0.000000 5.400225\n5.400225 5.400225 0.000000\nCs Tl 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 Tl\n0.500000 0.500000 0.500000 Au\n0.740554 0.259446 0.259446 Cl\n0.259446 0.259446 0.740554 Cl\n0.259446 0.740554 0.740554 Cl\n0.259446 0.740554 0.259446 Cl\n0.740554 0.259446 0.740554 Cl\n0.740554 0.740554 0.259446 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Tl",
"Au",
"Cl"
],
"chemical_system": "Au-Cl-Cs-Tl",
"density": 4.638807782065763,
"density_atomic": 0.03174932081034215,
"volume": 314.96736764027276,
"volume_molar": 18.967778227363915,
"formula_full": "Cs2 Tl1 Au1 Cl6",
"formula_reduced": "Cs2TlAuCl6",
"formula_anonymous": "ABC2D6",
"energy": -33.49055545,
"energy_per_atom": -3.349055545,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.806555450000005,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003773,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:11.151000Z",
"spacegroup": 225
},
{
"id": "mp-1113523",
"created_at": "2022-09-04T14:40:32.394759Z",
"structure_string": "Cs2 La1 Cu1 Cl6\n1.0\n0.000000 5.380140 5.380140\n5.380140 0.000000 5.380140\n5.380140 5.380140 0.000000\nCs La Cu 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 La\n0.500000 0.500000 0.500000 Cu\n0.741085 0.258915 0.258915 Cl\n0.258915 0.258915 0.741085 Cl\n0.258915 0.741085 0.741085 Cl\n0.258915 0.741085 0.258915 Cl\n0.741085 0.258915 0.741085 Cl\n0.741085 0.741085 0.258915 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"La",
"Cu",
"Cl"
],
"chemical_system": "Cl-Cs-Cu-La",
"density": 3.630554551602708,
"density_atomic": 0.032106227132747106,
"volume": 311.4660579286935,
"volume_molar": 18.75692442808906,
"formula_full": "Cs2 La1 Cu1 Cl6",
"formula_reduced": "Cs2LaCuCl6",
"formula_anonymous": "ABC2D6",
"energy": -43.75121436,
"energy_per_atom": -4.375121436,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.06721436,
"band_gap": 2.1808,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.00096,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.421000Z",
"spacegroup": 225
},
{
"id": "mp-1113520",
"created_at": "2022-09-04T14:47:21.772736Z",
"structure_string": "Cs2 Sc1 In1 Br6\n1.0\n0.000000 5.842519 5.842519\n5.842519 0.000000 5.842519\n5.842519 5.842519 0.000000\nCs Sc 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 Sc\n0.500000 0.500000 0.500000 In\n0.771242 0.228758 0.228758 Br\n0.228758 0.228758 0.771242 Br\n0.228758 0.771242 0.771242 Br\n0.228758 0.771242 0.228758 Br\n0.771242 0.228758 0.771242 Br\n0.771242 0.771242 0.228758 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Sc",
"In",
"Br"
],
"chemical_system": "Br-Cs-In-Sc",
"density": 3.7676583249151148,
"density_atomic": 0.025070881498550808,
"volume": 398.8691024118174,
"volume_molar": 24.020458795388198,
"formula_full": "Cs2 Sc1 In1 Br6",
"formula_reduced": "Cs2ScInBr6",
"formula_anonymous": "ABC2D6",
"energy": -39.70350844,
"energy_per_atom": -3.970350844,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.49950844,
"band_gap": 2.2014,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0007627,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:02.913000Z",
"spacegroup": 225
},
{
"id": "mp-1113506",
"created_at": "2022-09-04T14:39:46.349124Z",
"structure_string": "Na3 Sm1 Cl6\n1.0\n0.000000 5.381398 5.381398\n5.381398 0.000000 5.381398\n5.381398 5.381398 0.000000\nNa Sm Cl\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 Sm\n0.751169 0.248831 0.248831 Cl\n0.248831 0.248831 0.751169 Cl\n0.248831 0.751169 0.751169 Cl\n0.248831 0.751169 0.248831 Cl\n0.751169 0.248831 0.751169 Cl\n0.751169 0.751169 0.248831 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Na",
"Sm",
"Cl"
],
"chemical_system": "Cl-Na-Sm",
"density": 2.3017866459965712,
"density_atomic": 0.03208371614620346,
"volume": 311.6845927208256,
"volume_molar": 18.770084900880835,
"formula_full": "Na3 Sm1 Cl6",
"formula_reduced": "Na3SmCl6",
"formula_anonymous": "AB3C6",
"energy": -41.84962163,
"energy_per_atom": -4.184962163,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.16562163,
"band_gap": 3.9141,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001763,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.736000Z",
"spacegroup": 225
}
]
}