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=12139",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-chemical_system&page=12137",
"results": [
{
"id": "mp-3291",
"created_at": "2022-09-04T14:39:32.741055Z",
"structure_string": "Ag2 Te8 Au2\n1.0\n4.578168 0.000000 0.000000\n0.000000 9.067899 0.000000\n0.000000 5.736384 8.525465\nAg Te Au\n2 8 2\ndirect\n0.480012 0.500000 0.250000 Ag\n0.519988 0.500000 0.750000 Ag\n0.399539 0.806674 0.454785 Te\n0.399539 0.193326 0.045215 Te\n0.968890 0.296822 0.705073 Te\n0.968890 0.703178 0.794927 Te\n0.031110 0.703178 0.294927 Te\n0.031110 0.296822 0.205073 Te\n0.600461 0.806674 0.954785 Te\n0.600461 0.193326 0.545215 Te\n0.000000 0.000000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ag",
"Te",
"Au"
],
"chemical_system": "Ag-Au-Te",
"density": 7.649715986896263,
"density_atomic": 0.033905079774411546,
"volume": 353.9292660522363,
"volume_molar": 17.76176549375047,
"formula_full": "Ag2 Te8 Au2",
"formula_reduced": "AgTe4Au",
"formula_anonymous": "ABC4",
"energy": -41.62696932,
"energy_per_atom": -3.46891411,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.25096932,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.6e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:42.648000Z",
"spacegroup": 13
},
{
"id": "mp-31495",
"created_at": "2022-09-04T14:41:03.857171Z",
"structure_string": "Ag2 Te4 Au2\n1.0\n4.775791 0.000000 0.000000\n0.000000 4.990799 0.000000\n0.000000 0.000000 8.967253\nAg Te Au\n2 4 2\ndirect\n0.500000 0.500000 0.000000 Ag\n0.500000 0.500000 0.500000 Ag\n0.823080 0.500000 0.750000 Te\n0.176920 0.500000 0.250000 Te\n0.682333 0.000000 0.250000 Te\n0.317667 0.000000 0.750000 Te\n0.000000 0.000000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ag",
"Te",
"Au"
],
"chemical_system": "Ag-Au-Te",
"density": 8.702003795334129,
"density_atomic": 0.037429598780975896,
"volume": 213.73459135410528,
"volume_molar": 16.089247430193762,
"formula_full": "Ag2 Te4 Au2",
"formula_reduced": "AgTe2Au",
"formula_anonymous": "ABC2",
"energy": -25.40062257,
"energy_per_atom": -3.17507782125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.71262257,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.3e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:16.774000Z",
"spacegroup": 51
},
{
"id": "mp-5710",
"created_at": "2022-09-04T14:46:33.170605Z",
"structure_string": "Ag12 Te8 Au4\n1.0\n-5.274209 5.274209 5.274209\n5.274209 -5.274209 5.274209\n5.274209 5.274209 -5.274209\nAg Te Au\n12 8 4\ndirect\n0.609310 0.750000 0.359310 Ag\n0.250000 0.609310 0.359310 Ag\n0.750000 0.890690 0.140690 Ag\n0.609310 0.359310 0.250000 Ag\n0.890690 0.140690 0.750000 Ag\n0.359310 0.250000 0.609310 Ag\n0.359310 0.609310 0.750000 Ag\n0.250000 0.140690 0.890690 Ag\n0.140690 0.890690 0.250000 Ag\n0.750000 0.359310 0.609310 Ag\n0.890690 0.250000 0.140690 Ag\n0.140690 0.750000 0.890690 Ag\n0.500000 0.000000 0.958691 Te\n0.541309 0.500000 0.000000 Te\n0.958691 0.958691 0.958691 Te\n0.000000 0.541309 0.500000 Te\n0.500000 0.000000 0.541309 Te\n0.958691 0.500000 0.000000 Te\n0.000000 0.958691 0.500000 Te\n0.541309 0.541309 0.541309 Te\n0.250000 0.250000 0.250000 Au\n0.000000 0.250000 0.500000 Au\n0.250000 0.500000 0.000000 Au\n0.500000 0.000000 0.250000 Au\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ag",
"Te",
"Au"
],
"chemical_system": "Ag-Au-Te",
"density": 8.78032772640411,
"density_atomic": 0.04089585044035784,
"volume": 586.8566062711276,
"volume_molar": 14.725554537085955,
"formula_full": "Ag12 Te8 Au4",
"formula_reduced": "Ag3Te2Au",
"formula_anonymous": "AB2C3",
"energy": -77.24844246,
"energy_per_atom": -3.2186851025000003,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -73.87244246,
"band_gap": 0.1725000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0047413,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:33.938000Z",
"spacegroup": 214
},
{
"id": "mp-1229158",
"created_at": "2022-09-04T14:42:28.409147Z",
"structure_string": "Ag1 Te10 Au4\n1.0\n-3.691799 -2.143486 0.028636\n-3.691799 2.143486 0.028636\n0.188740 0.000000 -25.702325\nAg Te Au\n1 10 4\ndirect\n0.000000 0.000000 0.800000 Ag\n0.686737 0.686737 0.057743 Te\n0.685830 0.685830 0.257916 Te\n0.686279 0.686279 0.457701 Te\n0.687423 0.687423 0.658345 Te\n0.685284 0.685284 0.859091 Te\n0.313721 0.313721 0.142299 Te\n0.314170 0.314170 0.342084 Te\n0.313263 0.313263 0.542257 Te\n0.314716 0.314716 0.740909 Te\n0.312577 0.312577 0.941655 Te\n0.999956 0.999956 0.000103 Au\n0.999863 0.999863 0.199915 Au\n0.000137 0.000137 0.400085 Au\n0.000044 0.000044 0.599897 Au\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Ag",
"Te",
"Au"
],
"chemical_system": "Ag-Au-Te",
"density": 8.865831141627725,
"density_atomic": 0.03687694124057679,
"volume": 406.75824771212467,
"volume_molar": 16.330369486755753,
"formula_full": "Ag1 Te10 Au4",
"formula_reduced": "Ag(Te5Au2)2",
"formula_anonymous": "AB4C10",
"energy": -52.39411372,
"energy_per_atom": -3.492940914666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.17411372,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009392,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:50.155000Z",
"spacegroup": 12
},
{
"id": "mp-1229183",
"created_at": "2022-09-04T14:41:47.780629Z",
"structure_string": "Ag12 Au4 Se4 S4\n1.0\n-5.001818 5.001818 5.001818\n5.001818 -5.001818 5.001818\n5.001818 5.001818 -5.001818\nAg Au Se S\n12 4 4 4\ndirect\n0.250000 0.630635 0.380635 Ag\n0.750000 0.869365 0.119365 Ag\n0.250000 0.123449 0.873449 Ag\n0.750000 0.376551 0.626551 Ag\n0.869365 0.119365 0.750000 Ag\n0.630635 0.380635 0.250000 Ag\n0.376551 0.626551 0.750000 Ag\n0.123449 0.873449 0.250000 Ag\n0.380635 0.250000 0.630635 Ag\n0.119365 0.750000 0.869365 Ag\n0.873449 0.250000 0.123449 Ag\n0.626551 0.750000 0.376551 Ag\n0.245227 0.245227 0.245227 Au\n0.254773 0.500000 0.000000 Au\n0.000000 0.254773 0.500000 Au\n0.500000 0.000000 0.254773 Au\n0.533362 0.533362 0.533362 Se\n0.966638 0.500000 0.000000 Se\n0.000000 0.966638 0.500000 Se\n0.500000 0.000000 0.966638 Se\n0.528375 0.500000 0.000000 S\n0.971625 0.971625 0.971625 S\n0.000000 0.528375 0.500000 S\n0.500000 0.000000 0.528375 S\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Ag",
"Au",
"Se",
"S"
],
"chemical_system": "Ag-Au-S-Se",
"density": 8.381175392894844,
"density_atomic": 0.04794767965196759,
"volume": 500.5455983314749,
"volume_molar": 12.559816874794011,
"formula_full": "Ag12 Au4 Se4 S4",
"formula_reduced": "Ag3AuSeS",
"formula_anonymous": "ABCD3",
"energy": -82.95456443,
"energy_per_atom": -3.4564401845833337,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -79.05456443,
"band_gap": 0.0948999999999999,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0027362,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:25.080000Z",
"spacegroup": 199
},
{
"id": "mp-1229181",
"created_at": "2022-09-04T14:42:12.611824Z",
"structure_string": "Ag12 Au4 Se6 S2\n1.0\n5.037179 7.114604 0.000000\n-5.037179 7.114604 0.000000\n0.000000 7.112646 7.134345\nAg Au Se S\n12 4 6 2\ndirect\n0.873116 0.126884 0.500000 Ag\n0.626453 0.373547 0.000000 Ag\n0.375946 0.624054 0.500000 Ag\n0.130259 0.869741 0.000000 Ag\n0.752331 0.748507 0.126142 Ag\n0.251493 0.247669 0.873858 Ag\n0.744472 0.754097 0.628363 Ag\n0.245903 0.255528 0.371637 Ag\n0.376846 0.876260 0.625440 Ag\n0.123740 0.623154 0.374560 Ag\n0.878608 0.376462 0.127589 Ag\n0.623538 0.121392 0.872411 Ag\n0.499873 0.244785 0.504920 Au\n0.755215 0.500127 0.495080 Au\n0.750471 0.000207 0.249508 Au\n0.999793 0.249529 0.750492 Au\n0.462882 0.001475 0.248963 Se\n0.998525 0.537118 0.751037 Se\n0.467389 0.500237 0.782928 Se\n0.499763 0.532611 0.217072 Se\n0.037706 0.000067 0.249314 Se\n0.999933 0.962294 0.750686 Se\n0.498846 0.973101 0.777123 S\n0.026899 0.501154 0.222877 S\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Ag",
"Au",
"Se",
"S"
],
"chemical_system": "Ag-Au-S-Se",
"density": 8.508580721527489,
"density_atomic": 0.04693415710936513,
"volume": 511.3546610430359,
"volume_molar": 12.831040612846879,
"formula_full": "Ag12 Au4 Se6 S2",
"formula_reduced": "Ag6Au2Se3S",
"formula_anonymous": "AB2C3D6",
"energy": -81.92946841999999,
"energy_per_atom": -3.413727850833333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -78.09146842,
"band_gap": 0.0372999999999996,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0027661,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:34.156000Z",
"spacegroup": 5
},
{
"id": "mp-1097586",
"created_at": "2022-09-04T14:47:26.439497Z",
"structure_string": "Ag1 Sn1 Au2\n1.0\n-5.240135 5.683113 8.026233\n5.240135 -5.683113 8.026233\n5.240135 5.683113 -8.026233\nAg Sn Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ag\n0.000000 0.500000 0.500000 Sn\n0.000000 0.253103 0.253103 Au\n0.000000 0.746897 0.746897 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ag",
"Sn",
"Au"
],
"chemical_system": "Ag-Au-Sn",
"density": 1.0777010283967718,
"density_atomic": 0.004183689737798116,
"volume": 956.0938431598915,
"volume_molar": 143.94329258195577,
"formula_full": "Ag1 Sn1 Au2",
"formula_reduced": "AgSnAu2",
"formula_anonymous": "ABC2",
"energy": -8.70243365,
"energy_per_atom": -2.1756084125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.70243365,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9009459,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:13.464000Z",
"spacegroup": 71
},
{
"id": "mp-867254",
"created_at": "2022-09-04T14:39:07.945707Z",
"structure_string": "Sm1 Ag1 Au2\n1.0\n0.000000 3.509344 3.509344\n3.509344 0.000000 3.509344\n3.509344 3.509344 0.000000\nSm Ag Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.500000 Ag\n0.750000 0.750000 0.750000 Au\n0.250000 0.250000 0.250000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sm",
"Ag",
"Au"
],
"chemical_system": "Ag-Au-Sm",
"density": 12.528420631199648,
"density_atomic": 0.046275611982165996,
"volume": 86.43861914871157,
"volume_molar": 13.01363829033931,
"formula_full": "Sm1 Ag1 Au2",
"formula_reduced": "SmAgAu2",
"formula_anonymous": "ABC2",
"energy": -16.44352882,
"energy_per_atom": -4.110882205,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.44352882,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002513,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.263000Z",
"spacegroup": 225
},
{
"id": "mp-3172",
"created_at": "2022-09-04T14:44:03.245625Z",
"structure_string": "Ag12 Au4 Se8\n1.0\n-5.069624 5.069624 5.069624\n5.069624 -5.069624 5.069624\n5.069624 5.069624 -5.069624\nAg Au Se\n12 4 8\ndirect\n0.250000 0.128097 0.878097 Ag\n0.128097 0.878097 0.250000 Ag\n0.878097 0.250000 0.128097 Ag\n0.128097 0.750000 0.878097 Ag\n0.621903 0.750000 0.371903 Ag\n0.371903 0.250000 0.621903 Ag\n0.878097 0.128097 0.750000 Ag\n0.621903 0.371903 0.250000 Ag\n0.750000 0.878097 0.128097 Ag\n0.250000 0.621903 0.371903 Ag\n0.750000 0.371903 0.621903 Ag\n0.371903 0.621903 0.750000 Ag\n0.250000 0.250000 0.250000 Au\n0.000000 0.250000 0.500000 Au\n0.250000 0.500000 0.000000 Au\n0.500000 0.000000 0.250000 Au\n0.500000 0.000000 0.964890 Se\n0.964890 0.500000 0.000000 Se\n0.500000 0.000000 0.535110 Se\n0.000000 0.535110 0.500000 Se\n0.964890 0.964890 0.964890 Se\n0.535110 0.500000 0.000000 Se\n0.535110 0.535110 0.535110 Se\n0.000000 0.964890 0.500000 Se\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ag",
"Au",
"Se"
],
"chemical_system": "Ag-Au-Se",
"density": 8.647011698989376,
"density_atomic": 0.04604940255840789,
"volume": 521.1794000923032,
"volume_molar": 13.07756545236753,
"formula_full": "Ag12 Au4 Se8",
"formula_reduced": "Ag3AuSe2",
"formula_anonymous": "AB2C3",
"energy": -80.90947557,
"energy_per_atom": -3.3712281487499998,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -77.13347557,
"band_gap": 0.0234999999999998,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0010733,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:31.208000Z",
"spacegroup": 214
},
{
"id": "mp-862703",
"created_at": "2022-09-04T14:46:37.323667Z",
"structure_string": "Sc2 Ag1 Au1\n1.0\n0.000000 3.423785 3.423785\n3.423785 0.000000 3.423785\n3.423785 3.423785 0.000000\nSc Ag Au\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sc\n0.750000 0.750000 0.750000 Sc\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Ag",
"Au"
],
"chemical_system": "Ag-Au-Sc",
"density": 8.166162869834489,
"density_atomic": 0.04983225508241298,
"volume": 80.26929532658653,
"volume_molar": 12.084824879067856,
"formula_full": "Sc2 Ag1 Au1",
"formula_reduced": "Sc2AgAu",
"formula_anonymous": "ABC2",
"energy": -20.99839282,
"energy_per_atom": -5.249598205,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.99839282,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011548,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:37.430000Z",
"spacegroup": 225
},
{
"id": "mp-1093750",
"created_at": "2022-09-04T14:46:36.951300Z",
"structure_string": "Sc1 Ag1 Au2\n1.0\n-5.253800 5.778645 8.088645\n5.253800 -5.778645 8.088645\n5.253800 5.778645 -8.088645\nSc Ag Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.500000 0.500000 Ag\n0.000000 0.242574 0.242573 Au\n0.000000 0.757427 0.757426 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Ag",
"Au"
],
"chemical_system": "Ag-Au-Sc",
"density": 0.9242901609248934,
"density_atomic": 0.004072158497465793,
"volume": 982.2800371079124,
"volume_molar": 147.88571623004682,
"formula_full": "Sc1 Ag1 Au2",
"formula_reduced": "ScAgAu2",
"formula_anonymous": "ABC2",
"energy": -10.92663971,
"energy_per_atom": -2.7316599275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.92663971,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.5527024,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:38.576000Z",
"spacegroup": 71
},
{
"id": "mp-1247860",
"created_at": "2022-09-04T14:47:41.299749Z",
"structure_string": "Ag5 Au3 S4\n1.0\n5.828090 0.270868 0.447065\n0.190029 4.589111 1.180080\n0.945301 2.108266 12.790995\nAg Au S\n5 3 4\ndirect\n0.121033 0.545087 0.418336 Ag\n0.367738 0.918638 0.811527 Ag\n0.901413 0.485244 0.001054 Ag\n0.634902 0.407914 0.485452 Ag\n0.739797 0.032515 0.325447 Ag\n0.722887 0.236864 0.858525 Au\n0.776098 0.819788 0.142735 Au\n0.731561 0.754096 0.604919 Au\n0.025510 0.003981 0.969513 S\n0.036809 0.995154 0.468328 S\n0.510631 0.552502 0.294767 S\n0.431619 0.498218 0.744398 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ag",
"Au",
"S"
],
"chemical_system": "Ag-Au-S",
"density": 6.420473009132529,
"density_atomic": 0.036867671512691796,
"volume": 325.48841593830974,
"volume_molar": 16.33447547108274,
"formula_full": "Ag5 Au3 S4",
"formula_reduced": "Ag5Au3S4",
"formula_anonymous": "A3B4C5",
"energy": -42.3891154,
"energy_per_atom": -3.5324262833333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.3771154,
"band_gap": 1.0997,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020068,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:20.413000Z",
"spacegroup": 1
}
]
}