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=161",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=chemical_system&page=159",
"results": [
{
"id": "mp-5014",
"created_at": "2022-09-04T14:47:30.776184Z",
"structure_string": "Cu4 Ag4 S4\n1.0\n4.019385 0.000000 0.000000\n0.000000 6.620329 0.000000\n0.000000 0.000000 8.290497\nCu Ag S\n4 4 4\ndirect\n0.750000 0.297224 0.238722 Cu\n0.750000 0.202776 0.738722 Cu\n0.250000 0.797224 0.261278 Cu\n0.250000 0.702776 0.761278 Cu\n0.250000 0.322699 0.985662 Ag\n0.250000 0.177301 0.485662 Ag\n0.750000 0.822699 0.514338 Ag\n0.750000 0.677301 0.014338 Ag\n0.250000 0.054847 0.770686 S\n0.250000 0.445153 0.270686 S\n0.750000 0.554847 0.729314 S\n0.750000 0.945153 0.229314 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Cu",
"Ag",
"S"
],
"chemical_system": "Ag-Cu-S",
"density": 6.12645663731032,
"density_atomic": 0.05439531545632516,
"volume": 220.60723243042844,
"volume_molar": 11.071065053083975,
"formula_full": "Cu4 Ag4 S4",
"formula_reduced": "CuAgS",
"formula_anonymous": "ABC",
"energy": -47.54995338,
"energy_per_atom": -3.962496115,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.53795338,
"band_gap": 0.5674000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006202,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:12.764000Z",
"spacegroup": 62
},
{
"id": "mp-5725",
"created_at": "2022-09-04T14:46:06.023057Z",
"structure_string": "Cu4 Ag12 S8\n1.0\n-4.372842 4.372842 5.954379\n4.372842 -4.372842 5.954379\n4.372842 4.372842 -5.954379\nCu Ag S\n4 12 8\ndirect\n0.346811 0.346811 0.000000 Cu\n0.096811 0.596811 0.500000 Cu\n0.403189 0.903189 0.500000 Cu\n0.653189 0.653189 0.000000 Cu\n0.435575 0.935575 0.871150 Ag\n0.685575 0.314425 0.000000 Ag\n0.314425 0.685575 0.000000 Ag\n0.064425 0.564425 0.128850 Ag\n0.314425 0.314425 0.628850 Ag\n0.064425 0.935575 0.500000 Ag\n0.435575 0.564425 0.500000 Ag\n0.685575 0.685575 0.371150 Ag\n0.375000 0.125000 0.250000 Ag\n0.875000 0.125000 0.250000 Ag\n0.875000 0.625000 0.750000 Ag\n0.875000 0.125000 0.750000 Ag\n0.662205 0.413472 0.751268 S\n0.662205 0.910937 0.248732 S\n0.586528 0.337795 0.248732 S\n0.660937 0.912205 0.748732 S\n0.163472 0.912205 0.251268 S\n0.089063 0.337795 0.751268 S\n0.087795 0.339063 0.251268 S\n0.087795 0.836528 0.748732 S\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Cu",
"Ag",
"S"
],
"chemical_system": "Ag-Cu-S",
"density": 6.581603511107914,
"density_atomic": 0.05269715930722377,
"volume": 455.43251885894466,
"volume_molar": 11.42782806354133,
"formula_full": "Cu4 Ag12 S8",
"formula_reduced": "CuAg3S2",
"formula_anonymous": "AB2C3",
"energy": -88.66273117,
"energy_per_atom": -3.6942804654166665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -84.63873117,
"band_gap": 0.2465999999999999,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 6.55e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:21.647000Z",
"spacegroup": 141
},
{
"id": "mp-644883",
"created_at": "2022-09-04T14:40:11.869422Z",
"structure_string": "Cu4 Ag12 S8\n1.0\n-4.383874 4.383874 5.886409\n4.383874 -4.383874 5.886409\n4.383874 4.383874 -5.886409\nCu Ag S\n4 12 8\ndirect\n0.344845 0.344845 0.000000 Cu\n0.655155 0.655155 0.000000 Cu\n0.094845 0.594845 0.500000 Cu\n0.405155 0.905155 0.500000 Cu\n0.424166 0.550828 0.435372 Ag\n0.115456 0.988795 0.564628 Ag\n0.449172 0.884544 0.873338 Ag\n0.325834 0.699172 0.064628 Ag\n0.300828 0.365456 0.626662 Ag\n0.011205 0.575834 0.126662 Ag\n0.875000 0.125000 0.250000 Ag\n0.634544 0.261205 0.935372 Ag\n0.738795 0.674166 0.373338 Ag\n0.875000 0.125000 0.750000 Ag\n0.875000 0.625000 0.750000 Ag\n0.375000 0.125000 0.250000 Ag\n0.659239 0.897709 0.736848 S\n0.077609 0.340761 0.238470 S\n0.672391 0.909239 0.261530 S\n0.647709 0.410861 0.738470 S\n0.102291 0.839139 0.761530 S\n0.589139 0.327609 0.236848 S\n0.160861 0.922391 0.263152 S\n0.090761 0.352291 0.763152 S\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Cu",
"Ag",
"S"
],
"chemical_system": "Ag-Cu-S",
"density": 6.624135392223518,
"density_atomic": 0.05303770083498402,
"volume": 452.50830300263397,
"volume_molar": 11.354452898960803,
"formula_full": "Cu4 Ag12 S8",
"formula_reduced": "CuAg3S2",
"formula_anonymous": "AB2C3",
"energy": -88.84034559,
"energy_per_atom": -3.70168106625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -84.81634559,
"band_gap": 0.2285000000000003,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 6.57e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:50.795000Z",
"spacegroup": 88
},
{
"id": "mp-1205410",
"created_at": "2022-09-04T14:48:12.817859Z",
"structure_string": "Cu2 Ag2 S2\n1.0\n3.978548 0.000000 0.000000\n0.000000 3.978548 0.000000\n0.000000 0.000000 6.206879\nCu Ag S\n2 2 2\ndirect\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.000000 Cu\n0.000000 0.500000 0.651000 Ag\n0.500000 0.000000 0.349000 Ag\n0.000000 0.500000 0.229635 S\n0.500000 0.000000 0.770365 S\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Cu",
"Ag",
"S"
],
"chemical_system": "Ag-Cu-S",
"density": 6.878229007715132,
"density_atomic": 0.0610701191251343,
"volume": 98.24772058665614,
"volume_molar": 9.861026712033219,
"formula_full": "Cu2 Ag2 S2",
"formula_reduced": "CuAgS",
"formula_anonymous": "ABC",
"energy": -23.30484863,
"energy_per_atom": -3.8841414383333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.29884863,
"band_gap": 0.2675,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006649,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:37.044000Z",
"spacegroup": 129
},
{
"id": "mp-1077811",
"created_at": "2022-09-04T14:43:08.862807Z",
"structure_string": "Cu2 Ag2 S2\n1.0\n2.022995 -3.342119 0.000000\n2.022995 3.342119 0.000000\n0.000000 0.000000 8.207623\nCu Ag S\n2 2 2\ndirect\n0.439271 0.560729 0.216863 Cu\n0.560729 0.439271 0.716863 Cu\n0.989554 0.010446 0.472897 Ag\n0.010446 0.989554 0.972897 Ag\n0.791611 0.208389 0.218340 S\n0.208389 0.791611 0.718340 S\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Cu",
"Ag",
"S"
],
"chemical_system": "Ag-Cu-S",
"density": 6.08884614605328,
"density_atomic": 0.05406138107018507,
"volume": 110.98495601158456,
"volume_molar": 11.139450455736172,
"formula_full": "Cu2 Ag2 S2",
"formula_reduced": "CuAgS",
"formula_anonymous": "ABC",
"energy": -23.73368253,
"energy_per_atom": -3.955613755,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.72768253,
"band_gap": 0.6381999999999994,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0027642,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:03.999000Z",
"spacegroup": 36
},
{
"id": "mp-8911",
"created_at": "2022-09-04T14:41:14.561566Z",
"structure_string": "Cu2 Ag2 S2\n1.0\n1.983445 -3.402302 0.000000\n1.983445 3.402302 0.000000\n0.000000 0.000000 8.454771\nCu Ag S\n2 2 2\ndirect\n0.477704 0.522296 0.250000 Cu\n0.522296 0.477704 0.750000 Cu\n0.000000 0.000000 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n0.183615 0.816385 0.750000 S\n0.816385 0.183615 0.250000 S\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Cu",
"Ag",
"S"
],
"chemical_system": "Ag-Cu-S",
"density": 5.922079690854884,
"density_atomic": 0.05258070235570511,
"volume": 114.11030532476309,
"volume_molar": 11.453138680538348,
"formula_full": "Cu2 Ag2 S2",
"formula_reduced": "CuAgS",
"formula_anonymous": "ABC",
"energy": -23.7755242,
"energy_per_atom": -3.9625873666666664,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.7695242,
"band_gap": 0.2627000000000006,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.1e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:26.639000Z",
"spacegroup": 63
},
{
"id": "mp-1093709",
"created_at": "2022-09-04T14:41:49.847281Z",
"structure_string": "Sc1 Cu2 Ag1\n1.0\n-4.980115 5.472206 7.720009\n4.980115 -5.472206 7.720009\n4.980115 5.472206 -7.720009\nSc Cu Ag\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.248768 0.248768 Cu\n0.000000 0.751232 0.751232 Cu\n0.000000 0.500000 0.500000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Cu",
"Ag"
],
"chemical_system": "Ag-Cu-Sc",
"density": 0.5523284160214941,
"density_atomic": 0.004753137565984398,
"volume": 841.5493859520938,
"volume_molar": 126.69822146737688,
"formula_full": "Sc1 Cu2 Ag1",
"formula_reduced": "ScCu2Ag",
"formula_anonymous": "ABC2",
"energy": -9.78183964,
"energy_per_atom": -2.44545991,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.78183964,
"band_gap": 0.0295,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.7971804,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:27.768000Z",
"spacegroup": 71
},
{
"id": "mp-1095743",
"created_at": "2022-09-04T14:41:04.459184Z",
"structure_string": "Sc2 Cu1 Ag1\n1.0\n-5.177162 5.773004 8.168930\n5.177162 -5.773004 8.168930\n5.177162 5.773004 -8.168930\nSc Cu Ag\n2 1 1\ndirect\n0.000000 0.238419 0.238419 Sc\n0.000000 0.761581 0.761581 Sc\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Cu",
"Ag"
],
"chemical_system": "Ag-Cu-Sc",
"density": 0.4443375122353699,
"density_atomic": 0.0040958232993348435,
"volume": 976.6046305390164,
"volume_molar": 147.03126379934378,
"formula_full": "Sc2 Cu1 Ag1",
"formula_reduced": "Sc2CuAg",
"formula_anonymous": "ABC2",
"energy": -11.05934271,
"energy_per_atom": -2.7648356775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.05934271,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.5489935,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:11.199000Z",
"spacegroup": 71
},
{
"id": "mp-1225840",
"created_at": "2022-09-04T14:42:06.600004Z",
"structure_string": "Cu2 Ag2 Se2\n1.0\n4.149687 0.000000 0.000000\n0.000000 4.144684 0.000000\n0.000000 0.000000 6.234903\nCu Ag Se\n2 2 2\ndirect\n0.750000 0.250000 0.001503 Cu\n0.250000 0.750000 0.998497 Cu\n0.750000 0.750000 0.686864 Ag\n0.250000 0.250000 0.313136 Ag\n0.750000 0.750000 0.247941 Se\n0.250000 0.250000 0.752059 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Cu",
"Ag",
"Se"
],
"chemical_system": "Ag-Cu-Se",
"density": 7.754114356960773,
"density_atomic": 0.05595189297806076,
"volume": 107.23497777550894,
"volume_molar": 10.763068842659775,
"formula_full": "Cu2 Ag2 Se2",
"formula_reduced": "CuAgSe",
"formula_anonymous": "ABC",
"energy": -22.07717311,
"energy_per_atom": -3.679528851666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.13317311,
"band_gap": 0.2427000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002532,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:36.364000Z",
"spacegroup": 129
},
{
"id": "mp-867863",
"created_at": "2022-09-04T14:44:49.597361Z",
"structure_string": "Sm1 Cu4 Ag1\n1.0\n0.000000 3.606841 3.606841\n3.606841 0.000000 3.606841\n3.606841 3.606841 0.000000\nSm Cu Ag\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Sm\n0.376188 0.376188 0.376188 Cu\n0.871436 0.376188 0.376188 Cu\n0.376188 0.871436 0.376188 Cu\n0.376188 0.376188 0.871436 Cu\n0.750000 0.750000 0.750000 Ag\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sm",
"Cu",
"Ag"
],
"chemical_system": "Ag-Cu-Sm",
"density": 9.06687377571351,
"density_atomic": 0.06393523434770138,
"volume": 93.84496766477739,
"volume_molar": 9.419126748248964,
"formula_full": "Sm1 Cu4 Ag1",
"formula_reduced": "SmCu4Ag",
"formula_anonymous": "ABC4",
"energy": -25.2064982,
"energy_per_atom": -4.201083033333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.2064982,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005659,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:46.245000Z",
"spacegroup": 216
},
{
"id": "mp-1218338",
"created_at": "2022-09-04T14:40:44.040090Z",
"structure_string": "Sr1 Cu4 Ag1\n1.0\n0.000000 0.000000 -4.178323\n-2.511148 -4.349435 0.000000\n-3.025476 4.646383 0.000000\nSr Cu Ag\n1 4 1\ndirect\n0.000000 0.999980 0.000000 Sr\n0.000000 0.307847 0.615738 Cu\n0.000000 0.692109 0.384262 Cu\n0.500000 0.499980 0.500000 Cu\n0.500000 0.999980 0.500000 Cu\n0.500000 0.500004 0.000000 Ag\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sr",
"Cu",
"Ag"
],
"chemical_system": "Ag-Cu-Sr",
"density": 7.19815537151832,
"density_atomic": 0.05783987296694837,
"volume": 103.73466766478896,
"volume_molar": 10.41174617281966,
"formula_full": "Sr1 Cu4 Ag1",
"formula_reduced": "SrCu4Ag",
"formula_anonymous": "ABC4",
"energy": -21.4296108,
"energy_per_atom": -3.5716018,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.4296108,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.74e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:11.236000Z",
"spacegroup": 65
},
{
"id": "mp-1072264",
"created_at": "2022-09-04T14:40:42.707098Z",
"structure_string": "Tb1 Cu4 Ag1\n1.0\n0.000000 3.575111 3.575111\n3.575111 0.000000 3.575111\n3.575111 3.575111 0.000000\nTb Cu Ag\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Tb\n0.623744 0.623744 0.128768 Cu\n0.623744 0.128768 0.623744 Cu\n0.128768 0.623744 0.623744 Cu\n0.623744 0.623744 0.623744 Cu\n0.250000 0.250000 0.250000 Ag\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Tb",
"Cu",
"Ag"
],
"chemical_system": "Ag-Cu-Tb",
"density": 9.466065820096913,
"density_atomic": 0.0656527109451244,
"volume": 91.38998091053818,
"volume_molar": 9.172722151616233,
"formula_full": "Tb1 Cu4 Ag1",
"formula_reduced": "TbCu4Ag",
"formula_anonymous": "ABC4",
"energy": -25.2651328,
"energy_per_atom": -4.210855466666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.2651328,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0021743,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:09.959000Z",
"spacegroup": 216
}
]
}