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=58",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=chemical_system&page=56",
"results": [
{
"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-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-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-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-1229219",
"created_at": "2022-09-04T14:45:57.840938Z",
"structure_string": "Ag3 Te32 Au13\n1.0\n4.521805 16.960284 0.000000\n-4.521805 16.960284 0.000000\n0.000000 0.010911 9.089134\nAg Te Au\n3 32 13\ndirect\n0.073317 0.676384 0.316710 Ag\n0.323616 0.926683 0.683290 Ag\n0.700121 0.299879 0.000000 Ag\n0.405521 0.467407 0.369175 Te\n0.902000 0.971800 0.367560 Te\n0.532593 0.594479 0.630825 Te\n0.028200 0.098000 0.632440 Te\n0.282869 0.344490 0.369240 Te\n0.778129 0.848502 0.367570 Te\n0.655510 0.717131 0.630760 Te\n0.151498 0.221871 0.632430 Te\n0.598792 0.151630 0.018872 Te\n0.099374 0.649811 0.011014 Te\n0.848370 0.401208 0.981128 Te\n0.350189 0.900626 0.988986 Te\n0.142096 0.607497 0.614328 Te\n0.638540 0.111509 0.613180 Te\n0.392503 0.857904 0.385672 Te\n0.888491 0.361460 0.386820 Te\n0.649342 0.345507 0.698298 Te\n0.151987 0.843008 0.702023 Te\n0.654493 0.350658 0.301702 Te\n0.156992 0.848013 0.297977 Te\n0.406944 0.097645 0.702368 Te\n0.906961 0.598400 0.702314 Te\n0.902355 0.593056 0.297632 Te\n0.401600 0.093039 0.297686 Te\n0.872300 0.006556 0.961239 Te\n0.367614 0.511664 0.961258 Te\n0.993444 0.127700 0.038761 Te\n0.488336 0.632386 0.038742 Te\n0.742237 0.878826 0.962316 Te\n0.241668 0.378564 0.962270 Te\n0.121174 0.257763 0.037684 Te\n0.621436 0.758332 0.037730 Te\n0.390414 0.483615 0.665918 Au\n0.890303 0.983899 0.665174 Au\n0.516385 0.609586 0.334082 Au\n0.016101 0.109697 0.334826 Au\n0.267142 0.358035 0.666571 Au\n0.766418 0.859680 0.665785 Au\n0.641965 0.732858 0.333429 Au\n0.140320 0.233582 0.334215 Au\n0.583188 0.166872 0.317869 Au\n0.833128 0.416812 0.682131 Au\n0.191730 0.808270 0.000000 Au\n0.943355 0.557263 0.000147 Au\n0.442737 0.056645 0.999853 Au\n",
"nsites": 48,
"nelements": 3,
"elements": [
"Ag",
"Te",
"Au"
],
"chemical_system": "Ag-Au-Te",
"density": 8.29889977394239,
"density_atomic": 0.0344305361459053,
"volume": 1394.1113143458404,
"volume_molar": 17.49069702104012,
"formula_full": "Ag3 Te32 Au13",
"formula_reduced": "Ag3Te32Au13",
"formula_anonymous": "A3B13C32",
"energy": -168.97981002,
"energy_per_atom": -3.52041270875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -155.47581002,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.026483,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:11.909000Z",
"spacegroup": 5
},
{
"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-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-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-1096422",
"created_at": "2022-09-04T14:40:13.620952Z",
"structure_string": "Ti1 Ag1 Au2\n1.0\n-5.190619 5.610045 7.794729\n5.190619 -5.610045 7.794729\n5.190619 5.610045 -7.794729\nTi Ag Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.500000 0.500000 Ag\n0.000000 0.241858 0.241858 Au\n0.000000 0.758142 0.758142 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Ag",
"Au"
],
"chemical_system": "Ag-Au-Ti",
"density": 1.0053176559624222,
"density_atomic": 0.004405685404285484,
"volume": 907.917754660633,
"volume_molar": 136.69021292673696,
"formula_full": "Ti1 Ag1 Au2",
"formula_reduced": "TiAgAu2",
"formula_anonymous": "ABC2",
"energy": -11.05262964,
"energy_per_atom": -2.76315741,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.05262964,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0922389,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:50.297000Z",
"spacegroup": 71
},
{
"id": "mp-1187588",
"created_at": "2022-09-04T14:39:21.693499Z",
"structure_string": "Tm2 Ag1 Au1\n1.0\n0.000000 3.563430 3.563430\n3.563430 0.000000 3.563430\n3.563430 3.563430 0.000000\nTm Ag Au\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Tm\n0.750000 0.750000 0.750000 Tm\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tm",
"Ag",
"Au"
],
"chemical_system": "Ag-Au-Tm",
"density": 11.793015268058527,
"density_atomic": 0.044200308427982796,
"volume": 90.4971060669712,
"volume_molar": 13.624657777698763,
"formula_full": "Tm2 Ag1 Au1",
"formula_reduced": "Tm2AgAu",
"formula_anonymous": "ABC2",
"energy": -17.55102241,
"energy_per_atom": -4.3877556025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.55102241,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005491,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.708000Z",
"spacegroup": 225
},
{
"id": "mp-1187720",
"created_at": "2022-09-04T14:46:26.537812Z",
"structure_string": "Y2 Ag1 Au1\n1.0\n0.000000 3.625827 3.625827\n3.625827 0.000000 3.625827\n3.625827 3.625827 0.000000\nY Ag Au\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Y\n0.750000 0.750000 0.750000 Y\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Ag",
"Au"
],
"chemical_system": "Ag-Au-Y",
"density": 8.406728059871508,
"density_atomic": 0.04195741850549692,
"volume": 95.33474990783698,
"volume_molar": 14.352982081609781,
"formula_full": "Y2 Ag1 Au1",
"formula_reduced": "Y2AgAu",
"formula_anonymous": "ABC2",
"energy": -21.45170688,
"energy_per_atom": -5.36292672,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.45170688,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004855,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:39.310000Z",
"spacegroup": 225
},
{
"id": "mp-1095956",
"created_at": "2022-09-04T14:45:53.697377Z",
"structure_string": "Y1 Ag1 Au2\n1.0\n-5.403409 6.017068 8.516633\n5.403409 -6.017068 8.516633\n5.403409 6.017068 -8.516633\nY Ag Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.500000 0.500000 Ag\n0.000000 0.250467 0.250467 Au\n0.000000 0.749533 0.749533 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Ag",
"Au"
],
"chemical_system": "Ag-Au-Y",
"density": 0.8856062388770705,
"density_atomic": 0.0036114308670271056,
"volume": 1107.5942326684383,
"volume_molar": 166.75220935233816,
"formula_full": "Y1 Ag1 Au2",
"formula_reduced": "YAgAu2",
"formula_anonymous": "ABC2",
"energy": -11.13229974,
"energy_per_atom": -2.783074935,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.13229974,
"band_gap": 0.1754000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.5238236,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:05.085000Z",
"spacegroup": 71
}
]
}