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=12099",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=chemical_system&page=12097",
"results": [
{
"id": "mp-1218389",
"created_at": "2022-09-04T14:45:05.301133Z",
"structure_string": "Sr4 Se3 S1\n1.0\n14.484520 -2.207445 0.000000\n14.484520 2.207445 0.000000\n14.148105 0.000000 3.808577\nSr Se S\n4 3 1\ndirect\n0.875690 0.875690 0.875690 Sr\n0.124310 0.124310 0.124310 Sr\n0.372872 0.372872 0.372872 Sr\n0.627128 0.627128 0.627128 Sr\n0.251452 0.251452 0.251452 Se\n0.500000 0.500000 0.500000 Se\n0.748548 0.748548 0.748548 Se\n0.000000 0.000000 0.000000 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sr",
"Se",
"S"
],
"chemical_system": "S-Se-Sr",
"density": 4.223291822736469,
"density_atomic": 0.032847570357496296,
"volume": 243.5492157542265,
"volume_molar": 18.33359574074452,
"formula_full": "Sr4 Se3 S1",
"formula_reduced": "Sr4Se3S",
"formula_anonymous": "AB3C4",
"energy": -39.90977174,
"energy_per_atom": -4.9887214675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.99077174,
"band_gap": 2.2418,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0027879,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:49.362000Z",
"spacegroup": 166
},
{
"id": "mp-1218707",
"created_at": "2022-09-04T14:48:09.487733Z",
"structure_string": "Sr2 Se1 S1\n1.0\n7.256674 -2.185688 0.000000\n7.256674 2.185688 0.000000\n6.598352 0.000000 3.728043\nSr Se S\n2 1 1\ndirect\n0.247121 0.247121 0.247121 Sr\n0.752879 0.752879 0.752879 Sr\n0.000000 0.000000 0.000000 Se\n0.500000 0.500000 0.500000 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Se",
"S"
],
"chemical_system": "S-Se-Sr",
"density": 4.019579848574119,
"density_atomic": 0.03382387040335084,
"volume": 118.2596773314189,
"volume_molar": 17.80441057804964,
"formula_full": "Sr2 Se1 S1",
"formula_reduced": "Sr2SeS",
"formula_anonymous": "ABC2",
"energy": -20.37249486,
"energy_per_atom": -5.093123715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.39749486,
"band_gap": 2.2889,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.18e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:30.547000Z",
"spacegroup": 166
},
{
"id": "mp-1218371",
"created_at": "2022-09-04T14:40:17.064918Z",
"structure_string": "Sr4 Se1 S3\n1.0\n2.166979 7.188509 0.000000\n-2.166979 7.188509 0.000000\n0.000000 1.310328 7.396140\nSr Se S\n4 1 3\ndirect\n0.626048 0.626048 0.119509 Sr\n0.373952 0.373952 0.880491 Sr\n0.128356 0.128356 0.629068 Sr\n0.871644 0.871644 0.370932 Sr\n0.500000 0.500000 0.500000 Se\n0.249467 0.249467 0.249509 S\n0.000000 0.000000 0.000000 S\n0.750533 0.750533 0.750491 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sr",
"Se",
"S"
],
"chemical_system": "S-Se-Sr",
"density": 3.7879542985634664,
"density_atomic": 0.03471853127935463,
"volume": 230.42449392890072,
"volume_molar": 17.34560921239507,
"formula_full": "Sr4 Se1 S3",
"formula_reduced": "Sr4SeS3",
"formula_anonymous": "AB3C4",
"energy": -41.579064030000005,
"energy_per_atom": -5.197383003750001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.59806403,
"band_gap": 2.3751,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001303,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:52.360000Z",
"spacegroup": 12
},
{
"id": "mp-1217794",
"created_at": "2022-09-04T14:44:18.147648Z",
"structure_string": "Ta10 Se1 S3\n1.0\n3.332833 0.000000 0.000000\n0.000000 3.332833 0.000000\n0.000000 0.000000 22.160897\nTa Se S\n10 1 3\ndirect\n0.500000 0.500000 0.348131 Ta\n0.000000 0.000000 0.847684 Ta\n0.000000 0.000000 0.147270 Ta\n0.500000 0.500000 0.652092 Ta\n0.500000 0.500000 0.071493 Ta\n0.000000 0.000000 0.573734 Ta\n0.000000 0.000000 0.426749 Ta\n0.500000 0.500000 0.925390 Ta\n0.000000 0.000000 0.998268 Ta\n0.500000 0.500000 0.500293 Ta\n0.500000 0.500000 0.203306 Se\n0.000000 0.000000 0.697041 S\n0.000000 0.000000 0.305712 S\n0.500000 0.500000 0.802837 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ta",
"Se",
"S"
],
"chemical_system": "S-Se-Ta",
"density": 13.387979545492378,
"density_atomic": 0.056873976589507415,
"volume": 246.1582755333981,
"volume_molar": 10.588569889292767,
"formula_full": "Ta10 Se1 S3",
"formula_reduced": "Ta10SeS3",
"formula_anonymous": "AB3C10",
"energy": -142.41272192,
"energy_per_atom": -10.172337279999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -140.90372192,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0068355,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:33.537000Z",
"spacegroup": 99
},
{
"id": "mp-1217968",
"created_at": "2022-09-04T14:44:21.804709Z",
"structure_string": "Ta4 Se1 S1\n1.0\n3.362882 0.000000 0.000000\n0.000000 3.362882 0.000000\n0.000000 0.000000 9.808843\nTa Se S\n4 1 1\ndirect\n0.500000 0.500000 0.243327 Ta\n0.000000 0.000000 0.744083 Ta\n0.500000 0.500000 0.918255 Ta\n0.000000 0.000000 0.075520 Ta\n0.000000 0.000000 0.372098 Se\n0.500000 0.500000 0.646716 S\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ta",
"Se",
"S"
],
"chemical_system": "S-Se-Ta",
"density": 12.496807830746645,
"density_atomic": 0.054089156620978664,
"volume": 110.9279636590392,
"volume_molar": 11.133730189581643,
"formula_full": "Ta4 Se1 S1",
"formula_reduced": "Ta4SeS",
"formula_anonymous": "ABC4",
"energy": -59.06025448000001,
"energy_per_atom": -9.843375746666668,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -58.08525448,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.029244,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:34.814000Z",
"spacegroup": 99
},
{
"id": "mp-1217890",
"created_at": "2022-09-04T14:40:58.157250Z",
"structure_string": "Ta1 Se1 S1\n1.0\n1.716664 -2.973349 0.000000\n1.716664 2.973349 0.000000\n0.000000 0.000000 6.399950\nTa Se S\n1 1 1\ndirect\n0.666667 0.333333 0.010597 Ta\n0.333333 0.666667 0.743908 Se\n0.000000 0.000000 0.245495 S\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ta",
"Se",
"S"
],
"chemical_system": "S-Se-Ta",
"density": 7.420853309436702,
"density_atomic": 0.0459180556812503,
"volume": 65.333776778902,
"volume_molar": 13.114973338165576,
"formula_full": "Ta1 Se1 S1",
"formula_reduced": "TaSeS",
"formula_anonymous": "ABC",
"energy": -23.16486267,
"energy_per_atom": -7.7216208900000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.18986267,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0149374,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:58.497000Z",
"spacegroup": 156
},
{
"id": "mp-1217825",
"created_at": "2022-09-04T14:45:35.304889Z",
"structure_string": "Ta1 Tl3 Se2 S2\n1.0\n0.000000 5.608536 5.661464\n3.984624 0.000000 5.661464\n3.984624 5.608536 0.000000\nTa Tl Se S\n1 3 2 2\ndirect\n0.996101 0.003899 0.003899 Ta\n0.494385 0.005615 0.005615 Tl\n0.994385 0.505615 0.505615 Tl\n0.501917 0.498083 0.498083 Tl\n0.999474 0.650039 0.000526 Se\n0.349961 0.000526 0.650039 Se\n0.998523 0.001477 0.334747 S\n0.665253 0.334747 0.001477 S\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ta",
"Tl",
"Se",
"S"
],
"chemical_system": "S-Se-Ta-Tl",
"density": 6.668226852877798,
"density_atomic": 0.03161508712169351,
"volume": 253.04374361538902,
"volume_molar": 19.0483130311153,
"formula_full": "Ta1 Tl3 Se2 S2",
"formula_reduced": "TaTl3(SeS)2",
"formula_anonymous": "AB2C2D3",
"energy": -41.29341844,
"energy_per_atom": -5.161677305,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.34341844,
"band_gap": 2.0701,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003768,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:10.974000Z",
"spacegroup": 42
},
{
"id": "mp-1217019",
"created_at": "2022-09-04T14:44:10.455241Z",
"structure_string": "U4 Te2 Se2 S4\n1.0\n0.000000 -3.805342 0.000000\n-6.777913 0.000000 0.000000\n0.000000 0.000000 -11.098804\nU Te Se S\n4 2 2 4\ndirect\n0.750000 0.183503 0.669630 U\n0.750000 0.683503 0.830370 U\n0.250000 0.794468 0.345124 U\n0.250000 0.294468 0.154876 U\n0.250000 0.246427 0.458886 Te\n0.250000 0.746427 0.041114 Te\n0.750000 0.786561 0.538557 Se\n0.750000 0.286561 0.961443 Se\n0.750000 0.028593 0.238932 S\n0.750000 0.528593 0.261068 S\n0.250000 0.960448 0.769018 S\n0.250000 0.460448 0.730982 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"U",
"Te",
"Se",
"S"
],
"chemical_system": "S-Se-Te-U",
"density": 8.663376526094194,
"density_atomic": 0.041919431045716556,
"volume": 286.2634272615251,
"volume_molar": 14.365988778407713,
"formula_full": "U4 Te2 Se2 S4",
"formula_reduced": "U2TeSeS2",
"formula_anonymous": "ABC2D2",
"energy": -92.36261591,
"energy_per_atom": -7.696884659166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -88.56261591,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.7680319,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:25.521000Z",
"spacegroup": 26
},
{
"id": "mp-1028771",
"created_at": "2022-09-04T14:45:34.445030Z",
"structure_string": "Te4 W4 Se2 S2\n1.0\n1.698302 -2.941545 0.000000\n1.698302 2.941545 0.000000\n0.000000 0.000000 38.850689\nTe W Se S\n4 4 2 2\ndirect\n0.333333 0.666667 0.706059 Te\n0.666667 0.333333 0.421122 Te\n0.666667 0.333333 0.518078 Te\n0.333333 0.666667 0.609100 Te\n0.333333 0.666667 0.093935 W\n0.333333 0.666667 0.469616 W\n0.666667 0.333333 0.281792 W\n0.666667 0.333333 0.657608 W\n0.333333 0.666667 0.324387 Se\n0.333333 0.666667 0.239183 Se\n0.666667 0.333333 0.055125 S\n0.666667 0.333333 0.132744 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"W",
"Se",
"S"
],
"chemical_system": "S-Se-Te-W",
"density": 6.27913472020431,
"density_atomic": 0.030914491507054366,
"volume": 388.1674714676036,
"volume_molar": 19.479992930259943,
"formula_full": "Te4 W4 Se2 S2",
"formula_reduced": "Te2W2SeS",
"formula_anonymous": "ABC2D2",
"energy": -87.17976158,
"energy_per_atom": -7.264980131666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -83.54176158,
"band_gap": 1.1071000000000004,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 5.3e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:05.402000Z",
"spacegroup": 156
},
{
"id": "mp-1025578",
"created_at": "2022-09-04T14:45:08.443447Z",
"structure_string": "Te2 W3 Se2 S2\n1.0\n1.674049 -2.899538 0.000000\n1.674049 2.899538 0.000000\n0.000000 0.000000 31.022729\nTe W Se S\n2 3 2 2\ndirect\n0.333333 0.666667 0.516974 Te\n0.333333 0.666667 0.639710 Te\n0.000000 0.000000 0.115659 W\n0.000000 0.000000 0.578371 W\n0.333333 0.666667 0.346949 W\n0.000000 0.000000 0.400796 Se\n0.000000 0.000000 0.293071 Se\n0.333333 0.666667 0.066623 S\n0.333333 0.666667 0.164689 S\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Te",
"W",
"Se",
"S"
],
"chemical_system": "S-Se-Te-W",
"density": 5.672316083668419,
"density_atomic": 0.029883780935078933,
"volume": 301.16671044912505,
"volume_molar": 20.151870250564375,
"formula_full": "Te2 W3 Se2 S2",
"formula_reduced": "Te2W3(SeS)2",
"formula_anonymous": "A2B2C2D3",
"energy": -67.07849159,
"energy_per_atom": -7.453165732222222,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -64.28449159,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.65e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:48.913000Z",
"spacegroup": 156
},
{
"id": "mp-1028679",
"created_at": "2022-09-04T14:43:58.879553Z",
"structure_string": "Te4 W4 Se2 S2\n1.0\n1.699083 -2.942899 0.000000\n1.699083 2.942899 0.000000\n0.000000 0.000000 38.847261\nTe W Se S\n4 4 2 2\ndirect\n0.000000 0.000000 0.330263 Te\n0.000000 0.000000 0.706019 Te\n0.000000 0.000000 0.233302 Te\n0.000000 0.000000 0.609059 Te\n0.000000 0.000000 0.093936 W\n0.000000 0.000000 0.469660 W\n0.333333 0.666667 0.281794 W\n0.333333 0.666667 0.657552 W\n0.333333 0.666667 0.427054 Se\n0.333333 0.666667 0.512252 Se\n0.333333 0.666667 0.055122 S\n0.333333 0.666667 0.132736 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"W",
"Se",
"S"
],
"chemical_system": "S-Se-Te-W",
"density": 6.273914392757751,
"density_atomic": 0.030888789913490623,
"volume": 388.4904534495546,
"volume_molar": 19.49620162157871,
"formula_full": "Te4 W4 Se2 S2",
"formula_reduced": "Te2W2SeS",
"formula_anonymous": "ABC2D2",
"energy": -87.19244683000001,
"energy_per_atom": -7.266037235833334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -83.55444683,
"band_gap": 0.028,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 2.46e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:07.223000Z",
"spacegroup": 156
},
{
"id": "mp-1028704",
"created_at": "2022-09-04T14:44:05.513109Z",
"structure_string": "Te2 W4 Se4 S2\n1.0\n1.671661 -2.895402 0.000000\n1.671661 2.895402 0.000000\n0.000000 0.000000 38.136459\nTe W Se S\n2 4 4 2\ndirect\n0.333333 0.666667 0.707598 Te\n0.333333 0.666667 0.607548 Te\n0.333333 0.666667 0.093905 W\n0.333333 0.666667 0.469631 W\n0.666667 0.333333 0.281805 W\n0.666667 0.333333 0.657593 W\n0.666667 0.333333 0.049967 Se\n0.666667 0.333333 0.425680 Se\n0.666667 0.333333 0.137856 Se\n0.666667 0.333333 0.513575 Se\n0.333333 0.666667 0.321716 S\n0.333333 0.666667 0.241873 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"W",
"Se",
"S"
],
"chemical_system": "S-Se-Te-W",
"density": 6.16467522782507,
"density_atomic": 0.03250527195272815,
"volume": 369.17088457070565,
"volume_molar": 18.526658594820848,
"formula_full": "Te2 W4 Se4 S2",
"formula_reduced": "TeW2Se2S",
"formula_anonymous": "ABC2D2",
"energy": -88.79577303,
"energy_per_atom": -7.399647752500001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -85.90177303,
"band_gap": 2.3019,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005501,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:19.642000Z",
"spacegroup": 156
}
]
}