HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=569",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=567",
"results": [
{
"id": "jvasp-49177",
"created_at": "2022-09-04T14:37:09.447349Z",
"updated_at": "2022-09-04T14:37:09.447382Z",
"structure_string": "K4 P4 O12\n1.0\n4.476448 -0.000000 0.000000\n0.000000 5.822208 0.000000\n0.000000 0.000000 12.318473\nK P O\n4 4 12\ndirect\n0.219925 0.750000 0.594884 K\n0.719925 0.750000 0.905116 K\n0.780075 0.250000 0.405116 K\n0.280075 0.250000 0.094884 K\n0.667616 0.250000 0.671207 P\n0.167616 0.250000 0.828793 P\n0.332384 0.750000 0.328793 P\n0.832385 0.750000 0.171207 P\n0.271220 0.972236 0.385528 O\n0.771220 0.527765 0.114472 O\n0.228780 0.472235 0.885528 O\n0.728780 0.027765 0.614472 O\n0.771220 0.972236 0.114472 O\n0.818550 0.250000 0.791590 O\n0.181450 0.750000 0.208410 O\n0.681450 0.750000 0.291590 O\n0.228780 0.027765 0.885528 O\n0.318550 0.250000 0.708410 O\n0.271220 0.527765 0.385528 O\n0.728780 0.472235 0.614472 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"K",
"P",
"O"
],
"chemical_system": "K-O-P",
"density": 2.442707574979362,
"density_atomic": 0.06229480907363256,
"volume": 321.0540380075645,
"volume_molar": 9.667163042239716,
"formula_full": "K4 P4 O12",
"formula_reduced": "KPO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.5053848,
"spacegroup": 62
},
{
"id": "jvasp-28475",
"created_at": "2022-09-04T14:37:19.884599Z",
"updated_at": "2022-09-04T14:37:19.884630Z",
"structure_string": "Te4 Mo2 W1 S2\n1.0\n3.428977 0.000000 0.000000\n-1.714489 2.969583 0.000000\n0.000000 0.000000 31.528571\nTe Mo W S\n4 2 1 2\ndirect\n0.666647 0.333292 0.056667 Te\n0.666642 0.333283 0.519053 Te\n0.666642 0.333283 0.174912 Te\n0.666647 0.333292 0.637297 Te\n0.333308 0.666617 0.115642 Mo\n0.333308 0.666617 0.578323 Mo\n0.666692 0.333384 0.346982 W\n0.333357 0.666715 0.394632 S\n0.333357 0.666715 0.299333 S\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Te",
"Mo",
"W",
"S"
],
"chemical_system": "Mo-S-Te-W",
"density": 4.914990107804648,
"density_atomic": 0.028033555428668543,
"volume": 321.0438298809626,
"volume_molar": 21.481901485251676,
"formula_full": "Te4 Mo2 W1 S2",
"formula_reduced": "Te4Mo2WS2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 3.558233651851852,
"spacegroup": 187
},
{
"id": "jvasp-13279",
"created_at": "2022-09-04T14:38:35.573363Z",
"updated_at": "2022-09-04T14:38:35.573390Z",
"structure_string": "Sr1 Nd5 S8\n1.0\n7.471232 0.000536 -0.000927\n-2.489906 7.044123 0.000927\n-2.491421 -3.521793 6.099926\nSr Nd S\n1 5 8\ndirect\n0.125000 0.750001 0.875001 Sr\n0.246906 0.624232 0.372541 Nd\n0.375000 0.250001 0.625000 Nd\n0.748309 0.875769 0.122675 Nd\n0.627459 0.374365 0.251690 Nd\n0.877325 0.125636 0.753094 Nd\n0.996593 0.853215 0.493724 S\n0.150470 0.154247 0.153520 S\n0.506276 0.002870 0.359490 S\n0.356620 0.497130 0.003406 S\n0.640509 0.646786 0.643380 S\n0.503778 0.003051 0.849531 S\n0.846480 0.496950 0.000727 S\n0.999273 0.345754 0.496222 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Sr",
"Nd",
"S"
],
"chemical_system": "Nd-S-Sr",
"density": 5.5104451636690674,
"density_atomic": 0.043608717334474106,
"volume": 321.03672971212444,
"volume_molar": 13.80948839611777,
"formula_full": "Sr1 Nd5 S8",
"formula_reduced": "SrNd5S8",
"formula_anonymous": "AB5C8",
"energy_above_hull": 1.8511909864285712,
"spacegroup": 82
},
{
"id": "jvasp-10215",
"created_at": "2022-09-04T14:38:16.169808Z",
"updated_at": "2022-09-04T14:38:16.169822Z",
"structure_string": "Tl4 Si2 S6\n1.0\n6.710369 0.017266 -0.006377\n-2.597756 -6.209269 0.094300\n-3.160373 1.209409 -7.728174\nTl Si S\n4 2 6\ndirect\n0.737184 0.312214 0.110258 Tl\n0.262816 0.687785 0.889742 Tl\n0.886388 0.060911 0.673044 Tl\n0.113612 0.939088 0.326956 Tl\n0.431864 0.547502 0.321438 Si\n0.568136 0.452498 0.678562 Si\n0.754390 0.696599 0.900022 S\n0.245609 0.303400 0.099978 S\n0.515503 0.870659 0.273515 S\n0.484497 0.129340 0.726485 S\n0.247554 0.477647 0.496475 S\n0.752446 0.522352 0.503525 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Tl",
"Si",
"S"
],
"chemical_system": "S-Si-Tl",
"density": 5.514342153115777,
"density_atomic": 0.037379223700503054,
"volume": 321.0339544809354,
"volume_molar": 16.110930521863548,
"formula_full": "Tl4 Si2 S6",
"formula_reduced": "Tl2SiS3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.2854723,
"spacegroup": 2
},
{
"id": "jvasp-57104",
"created_at": "2022-09-04T14:38:30.916274Z",
"updated_at": "2022-09-04T14:38:30.916302Z",
"structure_string": "Zn8 S8\n1.0\n1.920358 -3.326157 0.000000\n1.920358 3.326157 -0.000000\n0.000000 0.000000 25.128044\nZn S\n8 8\ndirect\n0.666668 0.333334 0.750035 Zn\n0.666668 0.333334 0.124941 Zn\n0.000000 0.000000 0.000061 Zn\n0.333334 0.666668 0.875212 Zn\n0.333334 0.666668 0.250035 Zn\n0.666668 0.333334 0.375212 Zn\n0.000000 0.000000 0.500061 Zn\n0.333334 0.666668 0.624941 Zn\n0.000000 0.000000 0.593699 S\n0.333334 0.666668 0.968816 S\n0.666668 0.333334 0.218567 S\n0.333334 0.666668 0.343868 S\n0.666668 0.333334 0.843868 S\n0.666668 0.333334 0.468816 S\n0.333334 0.666668 0.718567 S\n0.000000 0.000000 0.093699 S\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Zn",
"S"
],
"chemical_system": "S-Zn",
"density": 4.033798959181326,
"density_atomic": 0.04984325079123925,
"volume": 321.0063498268507,
"volume_molar": 12.082158896944353,
"formula_full": "Zn8 S8",
"formula_reduced": "ZnS",
"formula_anonymous": "AB",
"energy_above_hull": 0.0003699999999999,
"spacegroup": 186
},
{
"id": "jvasp-12443",
"created_at": "2022-09-04T14:37:19.181328Z",
"updated_at": "2022-09-04T14:37:19.181349Z",
"structure_string": "Pr7 O12\n1.0\n6.864335 -0.021157 -1.142313\n-1.344706 6.731367 -1.142313\n-0.017402 -0.021157 6.958712\nPr O\n7 12\ndirect\n0.861144 0.392282 0.700022 Pr\n0.700022 0.861143 0.392283 Pr\n0.138856 0.607718 0.299978 Pr\n0.607718 0.299978 0.138857 Pr\n0.299978 0.138856 0.607718 Pr\n0.000000 0.000000 0.000000 Pr\n0.392282 0.700022 0.861144 Pr\n0.580661 0.178296 0.438055 O\n0.178296 0.438054 0.580661 O\n0.939911 0.066898 0.674544 O\n0.821704 0.561945 0.419339 O\n0.561946 0.419338 0.821704 O\n0.933102 0.325455 0.060090 O\n0.325456 0.060089 0.933101 O\n0.060089 0.933101 0.325456 O\n0.066899 0.674544 0.939911 O\n0.674544 0.939911 0.066900 O\n0.419339 0.821704 0.561946 O\n0.438055 0.580661 0.178296 O\n",
"nsites": 19,
"nelements": 2,
"elements": [
"Pr",
"O"
],
"chemical_system": "O-Pr",
"density": 6.0954913848987005,
"density_atomic": 0.05918889938805709,
"volume": 321.00613791500484,
"volume_molar": 10.174442880779642,
"formula_full": "Pr7 O12",
"formula_reduced": "Pr7O12",
"formula_anonymous": "A7B12",
"energy_above_hull": 2.6123998684210528,
"spacegroup": 148
},
{
"id": "jvasp-34586",
"created_at": "2022-09-04T14:37:11.324193Z",
"updated_at": "2022-09-04T14:37:11.324218Z",
"structure_string": "Zn8 S8\n1.0\n1.920298 -3.326054 0.000000\n1.920298 3.326054 -0.000000\n0.000000 0.000000 25.126885\nZn S\n8 8\ndirect\n0.333334 0.666667 0.874758 Zn\n0.000000 -0.000000 0.999612 Zn\n0.666667 0.333334 0.375239 Zn\n0.666667 0.333334 0.124755 Zn\n0.000000 -0.000000 0.250148 Zn\n0.333334 0.666667 0.500119 Zn\n0.000000 -0.000000 0.625001 Zn\n0.666667 0.333334 0.749876 Zn\n0.666667 0.333334 0.656240 S\n0.666667 0.333334 0.281608 S\n0.333334 0.666667 0.781119 S\n0.000000 -0.000000 0.156324 S\n0.666667 0.333334 0.030957 S\n0.000000 -0.000000 0.906003 S\n0.333334 0.666667 0.406480 S\n0.000000 -0.000000 0.531363 S\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Zn",
"S"
],
"chemical_system": "S-Zn",
"density": 4.034235991075288,
"density_atomic": 0.0498486509340116,
"volume": 320.97157496158525,
"volume_molar": 12.080850027359737,
"formula_full": "Zn8 S8",
"formula_reduced": "ZnS",
"formula_anonymous": "AB",
"energy_above_hull": 0.00039,
"spacegroup": 156
},
{
"id": "jvasp-111414",
"created_at": "2022-09-04T14:38:40.919570Z",
"updated_at": "2022-09-04T14:38:40.919589Z",
"structure_string": "Sn1 Mo6 Se8\n1.0\n6.846960 0.017510 0.075901\n0.075258 6.846569 0.075901\n0.017658 0.017510 6.847358\nSn Mo Se\n1 6 8\ndirect\n0.000000 0.000000 0.000000 Sn\n0.761379 0.578148 0.439884 Mo\n0.439885 0.761379 0.578148 Mo\n0.578149 0.439885 0.761379 Mo\n0.238622 0.421852 0.560116 Mo\n0.560116 0.238621 0.421852 Mo\n0.421852 0.560116 0.238621 Mo\n0.759432 0.759432 0.759432 Se\n0.240569 0.240568 0.240568 Se\n0.251288 0.620738 0.879798 Se\n0.879798 0.251288 0.620738 Se\n0.620738 0.879798 0.251287 Se\n0.748712 0.379262 0.120202 Se\n0.120202 0.748712 0.379262 Se\n0.379262 0.120202 0.748712 Se\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Sn",
"Mo",
"Se"
],
"chemical_system": "Mo-Se-Sn",
"density": 6.860336241461215,
"density_atomic": 0.04673413556399854,
"volume": 320.9645330758015,
"volume_molar": 12.88595731433435,
"formula_full": "Sn1 Mo6 Se8",
"formula_reduced": "Sn(Mo3Se4)2",
"formula_anonymous": "AB6C8",
"energy_above_hull": 3.8986482688888886,
"spacegroup": 148
},
{
"id": "jvasp-22862",
"created_at": "2022-09-04T14:37:34.720854Z",
"updated_at": "2022-09-04T14:37:34.720879Z",
"structure_string": "Sc10 Ge6\n1.0\n3.966968 -6.870991 -0.000000\n3.966968 6.870991 0.000000\n-0.000000 -0.000000 5.887145\nSc Ge\n10 6\ndirect\n0.333333 0.666667 0.000000 Sc\n0.666667 0.333333 0.500000 Sc\n0.666667 0.333333 0.000000 Sc\n0.333333 0.666667 0.500000 Sc\n0.240507 0.000000 0.250000 Sc\n0.240507 0.240507 0.749999 Sc\n0.000000 0.759493 0.749999 Sc\n0.000000 0.240507 0.250000 Sc\n0.759493 0.759493 0.250000 Sc\n0.759493 0.000000 0.749999 Sc\n0.607005 0.000000 0.250000 Ge\n0.607006 0.607006 0.749999 Ge\n0.000000 0.392995 0.749999 Ge\n0.000000 0.607005 0.250000 Ge\n0.392995 0.392995 0.250000 Ge\n0.392995 0.000000 0.749999 Ge\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Sc",
"Ge"
],
"chemical_system": "Ge-Sc",
"density": 4.581159137860004,
"density_atomic": 0.04985482286304896,
"volume": 320.93183931175423,
"volume_molar": 12.079354441881785,
"formula_full": "Sc10 Ge6",
"formula_reduced": "Sc5Ge3",
"formula_anonymous": "A3B5",
"energy_above_hull": 2.1370680125,
"spacegroup": 193
},
{
"id": "jvasp-43071",
"created_at": "2022-09-04T14:36:16.589076Z",
"updated_at": "2022-09-04T14:36:16.589097Z",
"structure_string": "Li4 Ti6 Sb2 O16\n1.0\n5.970515 -0.000052 -0.000031\n-2.985304 5.170617 0.000056\n0.000078 -0.000138 10.394640\nLi Ti Sb O\n4 6 2 16\ndirect\n0.333337 0.666680 0.889469 Li\n0.999993 0.000011 0.994811 Li\n-0.000002 0.000013 0.494810 Li\n0.666667 0.333341 0.389470 Li\n0.170264 0.340540 0.218820 Ti\n0.170264 0.829745 0.218820 Ti\n0.829739 0.659481 0.718820 Ti\n0.340532 0.170276 0.718819 Ti\n0.659470 0.829745 0.218821 Ti\n0.829739 0.170277 0.718821 Ti\n0.333336 0.666678 0.505927 Sb\n0.666667 0.333344 0.005928 Sb\n0.307392 0.153707 0.105972 O\n0.846301 0.692616 0.105973 O\n0.666672 0.333348 0.612001 O\n0.510281 0.020574 0.820793 O\n0.510279 0.489731 0.820788 O\n0.692604 0.846313 0.605973 O\n0.489719 0.510289 0.320790 O\n0.020560 0.510290 0.320791 O\n0.153700 0.307405 0.605972 O\n0.000001 0.000007 0.814963 O\n-0.000001 0.000012 0.314963 O\n0.333334 0.666677 0.112001 O\n0.979441 0.489731 0.820791 O\n0.153703 0.846316 0.605973 O\n0.489717 0.979448 0.320793 O\n0.846297 0.153711 0.105974 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Sb",
"O"
],
"chemical_system": "Li-O-Sb-Ti",
"density": 4.214695171647925,
"density_atomic": 0.08725626090602122,
"volume": 320.8938786657065,
"volume_molar": 6.9016718083830195,
"formula_full": "Li4 Ti6 Sb2 O16",
"formula_reduced": "Li2Ti3SbO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.7876542214285718,
"spacegroup": 186
},
{
"id": "jvasp-13345",
"created_at": "2022-09-04T14:36:56.209388Z",
"updated_at": "2022-09-04T14:36:56.209410Z",
"structure_string": "Pr4 Cd2 S8\n1.0\n7.471869 0.178088 0.000000\n-2.322720 7.103909 0.000000\n-2.574576 -3.640999 5.997937\nPr Cd S\n4 2 8\ndirect\n0.115152 0.750000 0.865153 Pr\n0.250000 0.615153 0.365153 Pr\n0.384847 0.250000 0.634848 Pr\n0.750000 0.884848 0.134848 Pr\n0.625000 0.375000 0.250000 Cd\n0.875000 0.125000 0.750000 Cd\n0.991933 0.365262 0.485994 S\n0.508067 0.994062 0.373329 S\n0.120733 0.134738 0.126671 S\n0.379267 0.505939 0.014006 S\n0.494061 0.008068 0.873330 S\n0.634738 0.620734 0.626671 S\n0.005938 0.879267 0.514006 S\n0.865262 0.491933 0.985995 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Pr",
"Cd",
"S"
],
"chemical_system": "Cd-Pr-S",
"density": 5.408217175789366,
"density_atomic": 0.04363431457084305,
"volume": 320.84839965275773,
"volume_molar": 13.801387323783157,
"formula_full": "Pr4 Cd2 S8",
"formula_reduced": "Pr2CdS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.2326170642857142,
"spacegroup": 122
},
{
"id": "jvasp-49750",
"created_at": "2022-09-04T14:37:02.332537Z",
"updated_at": "2022-09-04T14:37:02.332561Z",
"structure_string": "Nd6 Sb2 O14\n1.0\n5.490128 3.789926 0.000000\n-5.490128 3.789926 0.000000\n0.000000 -0.000000 7.710030\nNd Sb O\n6 2 14\ndirect\n0.066618 0.520195 0.250000 Nd\n0.479806 0.933383 0.750000 Nd\n0.000000 0.000000 0.000000 Nd\n0.000000 0.000000 0.500000 Nd\n0.520195 0.066618 0.250000 Nd\n0.933383 0.479806 0.750000 Nd\n0.500000 0.500000 0.000000 Sb\n0.500000 0.500000 0.500000 Sb\n0.813734 0.560539 0.464839 O\n0.439462 0.186267 0.535161 O\n0.813734 0.560539 0.035161 O\n0.439462 0.186267 0.964838 O\n0.416231 0.416231 0.250000 O\n0.583770 0.583770 0.750000 O\n0.186267 0.439462 0.535161 O\n0.560539 0.813734 0.464839 O\n0.560539 0.813734 0.035161 O\n0.847173 0.110642 0.750000 O\n0.152828 0.889359 0.250000 O\n0.110642 0.847173 0.750000 O\n0.186267 0.439462 0.964838 O\n0.889359 0.152828 0.250000 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Nd",
"Sb",
"O"
],
"chemical_system": "Nd-O-Sb",
"density": 6.898713729168292,
"density_atomic": 0.06856830549579651,
"volume": 320.84794630587277,
"volume_molar": 8.782688614594944,
"formula_full": "Nd6 Sb2 O14",
"formula_reduced": "Nd3SbO7",
"formula_anonymous": "AB3C7",
"energy_above_hull": 2.295568645454545,
"spacegroup": 63
}
]
}