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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-structure_string&page=1239",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-structure_string&page=1237",
"results": [
{
"id": "jvasp-24307",
"created_at": "2022-09-04T14:38:06.237428Z",
"updated_at": "2022-09-04T14:38:06.237455Z",
"structure_string": "Sb4 Te4 Cl4 O12\n1.0\n5.456733 -0.000000 0.000000\n0.000000 7.135830 0.000000\n0.000000 0.000000 11.307374\nSb Te Cl O\n4 4 4 12\ndirect\n0.250000 0.920119 0.752803 Sb\n0.750000 0.079881 0.247197 Sb\n0.750000 0.420119 0.747197 Sb\n0.250000 0.579881 0.252803 Sb\n0.750000 0.826595 0.933329 Te\n0.750000 0.673405 0.433330 Te\n0.250000 0.173405 0.066670 Te\n0.250000 0.326595 0.566670 Te\n0.250000 0.600363 0.926080 Cl\n0.750000 0.399637 0.073920 Cl\n0.750000 0.100363 0.573919 Cl\n0.250000 0.899637 0.426080 Cl\n0.002342 0.499541 0.623365 O\n0.997657 0.999541 0.876635 O\n0.002342 0.000459 0.123365 O\n0.750000 0.797379 0.281809 O\n0.497658 0.499541 0.623365 O\n0.997657 0.500459 0.376635 O\n0.502342 0.500459 0.376635 O\n0.750000 0.702621 0.781808 O\n0.497658 0.000459 0.123365 O\n0.502342 0.999541 0.876635 O\n0.250000 0.202621 0.718191 O\n0.250000 0.297379 0.218191 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Sb",
"Te",
"Cl",
"O"
],
"chemical_system": "Cl-O-Sb-Te",
"density": 5.02074385746874,
"density_atomic": 0.054509510929976364,
"volume": 440.29013635493294,
"volume_molar": 11.047871568204165,
"formula_full": "Sb4 Te4 Cl4 O12",
"formula_reduced": "SbTeClO3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 1.6218114056944448,
"spacegroup": 62
},
{
"id": "jvasp-110546",
"created_at": "2022-09-04T14:38:37.456095Z",
"updated_at": "2022-09-04T14:38:37.456120Z",
"structure_string": "Sb4 Te3 Se3\n1.0\n10.238774 -0.015413 1.210117\n9.378576 4.107920 1.210117\n0.015239 0.003179 7.287659\nSb Te Se\n4 3 3\ndirect\n0.908399 0.908400 0.702471 Sb\n0.406540 0.406541 0.191742 Sb\n0.588662 0.588663 0.803076 Sb\n0.091551 0.091552 0.302696 Sb\n0.819609 0.819610 0.393205 Te\n0.178005 0.178005 0.610583 Te\n0.678901 0.678902 0.103137 Te\n0.497501 0.497502 0.501298 Se\n0.999031 0.999032 0.000719 Se\n0.331798 0.331799 0.891079 Se\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Sb",
"Te",
"Se"
],
"chemical_system": "Sb-Se-Te",
"density": 5.976554826595167,
"density_atomic": 0.032521012033803885,
"volume": 307.4935057250225,
"volume_molar": 18.517691742619512,
"formula_full": "Sb4 Te3 Se3",
"formula_reduced": "Sb4(TeSe)3",
"formula_anonymous": "A3B3C4",
"energy_above_hull": 1.5780447800000004,
"spacegroup": 8
},
{
"id": "jvasp-5194",
"created_at": "2022-09-04T14:36:31.600966Z",
"updated_at": "2022-09-04T14:36:31.600998Z",
"structure_string": "Sb4 Se4 I4\n1.0\n4.172918 0.000000 0.000000\n0.000000 8.838736 0.000000\n0.000000 0.000000 10.599209\nSb Se I\n4 4 4\ndirect\n0.750000 0.117955 0.129151 Sb\n0.750000 0.617955 0.370849 Sb\n0.250000 0.882045 0.870849 Sb\n0.250000 0.382045 0.629151 Sb\n0.750000 0.333323 0.453052 Se\n0.250000 0.666678 0.546948 Se\n0.250000 0.166677 0.953052 Se\n0.750000 0.833323 0.046948 Se\n0.750000 0.515965 0.826599 I\n0.250000 0.484035 0.173401 I\n0.750000 0.015965 0.673401 I\n0.250000 0.984036 0.326599 I\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sb",
"Se",
"I"
],
"chemical_system": "I-Sb-Se",
"density": 5.566496640411596,
"density_atomic": 0.030695716641870766,
"volume": 390.93402314091253,
"volume_molar": 19.618830960230607,
"formula_full": "Sb4 Se4 I4",
"formula_reduced": "SbSeI",
"formula_anonymous": "ABC",
"energy_above_hull": 0.680601913888889,
"spacegroup": 62
},
{
"id": "jvasp-116593",
"created_at": "2022-09-04T14:38:43.257539Z",
"updated_at": "2022-09-04T14:38:43.257558Z",
"structure_string": "Sb4 Se4 Br4\n1.0\n4.053773 -0.000000 0.000000\n0.000000 8.433189 0.000000\n0.000000 -0.000000 10.358953\nSb Se Br\n4 4 4\ndirect\n0.250000 0.619874 0.635635 Sb\n0.750000 0.380126 0.364365 Sb\n0.750000 0.880126 0.135635 Sb\n0.250000 0.119874 0.864365 Sb\n0.250000 0.822113 0.953561 Se\n0.750000 0.177888 0.046438 Se\n0.750000 0.677888 0.453561 Se\n0.250000 0.322113 0.546438 Se\n0.250000 0.520575 0.182635 Br\n0.750000 0.479425 0.817364 Br\n0.750000 0.979425 0.682635 Br\n0.250000 0.020575 0.317364 Br\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sb",
"Se",
"Br"
],
"chemical_system": "Br-Sb-Se",
"density": 5.263404865042253,
"density_atomic": 0.03388551761621284,
"volume": 354.1335899280608,
"volume_molar": 17.772019386590838,
"formula_full": "Sb4 Se4 Br4",
"formula_reduced": "SbSeBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.7032345238888891,
"spacegroup": 62
},
{
"id": "jvasp-30438",
"created_at": "2022-09-04T14:38:05.288454Z",
"updated_at": "2022-09-04T14:38:05.288479Z",
"structure_string": "Sb4 S4 O2\n1.0\n4.080254 0.003675 -0.006750\n-2.050369 10.529085 -0.031492\n-2.029458 -1.717796 5.240102\nSb S O\n4 4 2\ndirect\n0.333452 0.634138 0.030849 Sb\n0.671928 0.366081 0.975952 Sb\n0.268718 0.881874 0.654052 Sb\n0.736667 0.118343 0.352748 Sb\n0.072361 0.913934 0.228952 S\n0.933021 0.086284 0.777851 S\n0.607881 0.699604 0.514395 S\n0.397501 0.300615 0.492405 S\n0.817280 0.570506 0.062189 O\n0.188098 0.429710 0.944613 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Sb",
"S",
"O"
],
"chemical_system": "O-S-Sb",
"density": 4.78200650797505,
"density_atomic": 0.04448937077623774,
"volume": 224.77279011869302,
"volume_molar": 13.536133811127065,
"formula_full": "Sb4 S4 O2",
"formula_reduced": "Sb2S2O",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.86647714,
"spacegroup": 12
},
{
"id": "jvasp-5203",
"created_at": "2022-09-04T14:36:42.901551Z",
"updated_at": "2022-09-04T14:36:42.901575Z",
"structure_string": "Sb4 S4 I4\n1.0\n4.112822 0.000000 0.000000\n0.000000 8.640639 0.000000\n0.000000 0.000000 10.323999\nSb S I\n4 4 4\ndirect\n0.750000 0.119547 0.124087 Sb\n0.750000 0.619547 0.375913 Sb\n0.250000 0.880453 0.875913 Sb\n0.250000 0.380453 0.624087 Sb\n0.750000 0.343693 0.454481 S\n0.250000 0.656307 0.545519 S\n0.250000 0.156307 0.954481 S\n0.750000 0.843693 0.045519 S\n0.750000 0.510755 0.827838 I\n0.250000 0.489245 0.172162 I\n0.750000 0.010755 0.672162 I\n0.250000 0.989245 0.327838 I\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sb",
"S",
"I"
],
"chemical_system": "I-S-Sb",
"density": 5.082335910312657,
"density_atomic": 0.032707512594330614,
"volume": 366.8881870913055,
"volume_molar": 18.412102548708805,
"formula_full": "Sb4 S4 I4",
"formula_reduced": "SbSI",
"formula_anonymous": "ABC",
"energy_above_hull": 0.8195774583333334,
"spacegroup": 62
},
{
"id": "jvasp-39189",
"created_at": "2022-09-04T14:38:20.286794Z",
"updated_at": "2022-09-04T14:38:20.286816Z",
"structure_string": "Sb4 S4 I4\n1.0\n4.104378 0.000127 -0.000409\n0.000326 9.418547 0.000045\n0.001629 0.000459 10.268657\nSb S I\n4 4 4\ndirect\n0.755392 0.336408 0.135835 Sb\n0.744531 0.663590 0.635841 Sb\n0.255485 0.163586 0.864164 Sb\n0.244596 0.836408 0.364159 Sb\n0.755764 0.094922 0.026362 S\n0.744226 0.905080 0.526348 S\n0.255729 0.405083 0.973640 S\n0.244285 0.594925 0.473649 S\n0.755917 0.297665 0.666769 I\n0.744195 0.702328 0.166772 I\n0.255815 0.202336 0.333232 I\n0.244077 0.797673 0.833226 I\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sb",
"S",
"I"
],
"chemical_system": "I-S-Sb",
"density": 4.6973419918704415,
"density_atomic": 0.030229873638857718,
"volume": 396.95832484642295,
"volume_molar": 19.921157567324702,
"formula_full": "Sb4 S4 I4",
"formula_reduced": "SbSI",
"formula_anonymous": "ABC",
"energy_above_hull": 0.8288207916666668,
"spacegroup": 62
},
{
"id": "jvasp-5197",
"created_at": "2022-09-04T14:36:51.096855Z",
"updated_at": "2022-09-04T14:36:51.096889Z",
"structure_string": "Sb4 S4 I4\n1.0\n3.799951 0.000000 0.000000\n0.000000 6.056321 0.000000\n0.000000 0.000000 17.211588\nSb S I\n4 4 4\ndirect\n0.750254 0.500326 0.358213 Sb\n0.249746 0.000326 0.141787 Sb\n0.250254 -0.000326 0.641787 Sb\n0.749746 0.499674 0.858213 Sb\n0.749761 0.000313 0.046676 S\n0.249761 0.499687 0.953324 S\n0.750239 0.999687 0.546676 S\n0.250239 0.500313 0.453324 S\n0.250013 0.500331 0.174926 I\n0.750013 0.999669 0.825074 I\n0.749987 0.000331 0.325074 I\n0.249987 0.499669 0.674926 I\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sb",
"S",
"I"
],
"chemical_system": "I-S-Sb",
"density": 4.707488531124186,
"density_atomic": 0.030295171971413282,
"volume": 396.1027193152518,
"volume_molar": 19.87821942612681,
"formula_full": "Sb4 S4 I4",
"formula_reduced": "SbSI",
"formula_anonymous": "ABC",
"energy_above_hull": 0.8593007916666667,
"spacegroup": 59
},
{
"id": "jvasp-5191",
"created_at": "2022-09-04T14:35:46.021432Z",
"updated_at": "2022-09-04T14:35:46.021464Z",
"structure_string": "Sb4 S4 Br4\n1.0\n3.982502 0.000000 0.000000\n0.000000 8.326936 0.000000\n0.000000 0.000000 9.850393\nSb S Br\n4 4 4\ndirect\n0.262108 0.622941 0.366988 Sb\n0.762107 0.377059 0.633012 Sb\n0.762107 0.877059 0.866988 Sb\n0.262108 0.122941 0.133012 Sb\n0.762050 0.663166 0.547551 S\n0.762050 0.163166 0.952449 S\n0.262050 0.836834 0.047551 S\n0.262050 0.336834 0.452449 S\n0.762042 0.486599 0.175483 Br\n0.762042 0.986599 0.324517 Br\n0.262042 0.013402 0.675483 Br\n0.262042 0.513402 0.824517 Br\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sb",
"S",
"Br"
],
"chemical_system": "Br-S-Sb",
"density": 4.752552275985762,
"density_atomic": 0.03673554259651384,
"volume": 326.6591195290739,
"volume_molar": 16.393226652847897,
"formula_full": "Sb4 S4 Br4",
"formula_reduced": "SbSBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.8443200683333335,
"spacegroup": 62
},
{
"id": "jvasp-97448",
"created_at": "2022-09-04T14:36:14.398992Z",
"updated_at": "2022-09-04T14:36:14.399028Z",
"structure_string": "Sb4 S4 Br12 F24\n1.0\n8.038151 0.000000 0.000000\n0.000000 9.036977 0.000000\n0.000000 0.000000 12.546583\nSb S Br F\n4 4 12 24\ndirect\n0.313699 0.965518 0.185355 Sb\n0.686301 0.465518 0.314645 Sb\n0.186301 0.034483 0.685355 Sb\n0.813699 0.534483 0.814645 Sb\n0.644629 0.024956 0.476025 S\n0.355371 0.524956 0.023975 S\n0.144629 0.475045 0.523975 S\n0.855371 0.975045 0.976024 S\n0.208996 0.315360 0.399089 Br\n0.708996 0.184640 0.600910 Br\n0.640395 0.813041 0.562250 Br\n0.791004 0.815360 0.100910 Br\n0.133188 0.503558 0.127549 Br\n0.859605 0.186960 0.062250 Br\n0.866812 0.003558 0.372451 Br\n0.633188 0.996443 0.872451 Br\n0.140395 0.686960 0.437750 Br\n0.366812 0.496442 0.627549 Br\n0.291004 0.684640 0.899089 Br\n0.359605 0.313041 0.937750 Br\n0.220216 0.155345 0.222906 F\n0.302230 0.027851 0.551325 F\n0.900720 0.726375 0.850937 F\n0.400720 0.773626 0.149063 F\n0.619663 0.625178 0.750470 F\n0.802230 0.472149 0.448674 F\n0.002009 0.437720 0.875965 F\n0.697770 0.527851 0.948674 F\n0.497991 0.562280 0.375965 F\n0.119663 0.874822 0.249530 F\n0.921748 0.548090 0.678793 F\n0.720216 0.344655 0.777094 F\n0.880337 0.374822 0.250470 F\n0.197770 0.972150 0.051326 F\n0.779783 0.655345 0.277094 F\n0.421748 0.951911 0.321207 F\n0.279784 0.844655 0.722906 F\n0.099280 0.226375 0.649062 F\n0.599280 0.273625 0.350937 F\n0.380337 0.125178 0.749530 F\n0.078252 0.048089 0.821207 F\n0.578251 0.451911 0.178793 F\n-0.002009 0.937720 0.624035 F\n0.502009 0.062280 0.124035 F\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Sb",
"S",
"Br",
"F"
],
"chemical_system": "Br-F-S-Sb",
"density": 3.698825112613739,
"density_atomic": 0.04827784490806591,
"volume": 911.3911377731943,
"volume_molar": 12.473922088833474,
"formula_full": "Sb4 S4 Br12 F24",
"formula_reduced": "SbS(BrF2)3",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 0.1229509190909092,
"spacegroup": 19
},
{
"id": "jvasp-98245",
"created_at": "2022-09-04T14:36:11.670833Z",
"updated_at": "2022-09-04T14:36:11.670850Z",
"structure_string": "Sb4 S4 Br12 F24\n1.0\n7.852883 0.000000 -1.134879\n0.000000 9.421543 0.000000\n-0.163337 0.000000 12.305734\nSb S Br F\n4 4 12 24\ndirect\n0.198966 0.270113 0.569104 Sb\n0.198966 0.229887 0.069104 Sb\n0.801033 0.770113 0.930895 Sb\n0.801033 0.729887 0.430896 Sb\n0.200331 0.805586 0.207992 S\n0.200331 0.694413 0.707991 S\n0.799668 0.194413 0.792008 S\n0.799668 0.305586 0.292008 S\n0.425827 0.687327 0.622703 Br\n0.726672 0.060176 0.645205 Br\n0.795352 0.088505 0.228410 Br\n0.795352 0.411495 0.728410 Br\n0.574172 0.312673 0.377296 Br\n0.204647 0.911495 0.771590 Br\n0.273327 0.939824 0.354795 Br\n0.204647 0.588505 0.271590 Br\n0.574172 0.187327 0.877296 Br\n0.726673 0.439824 0.145205 Br\n0.425828 0.812673 0.122703 Br\n0.273327 0.560176 0.854794 Br\n0.135589 0.295055 0.205338 F\n-0.016508 0.206180 0.491365 F\n0.105459 0.046963 0.094198 F\n0.016507 0.793820 0.508635 F\n-0.016508 0.293820 0.991365 F\n0.864411 0.704945 0.794661 F\n0.701412 0.911849 0.455488 F\n0.582660 0.669310 0.356874 F\n0.258559 0.161450 0.932095 F\n0.864411 0.795055 0.294661 F\n0.417339 0.330690 0.643126 F\n0.417339 0.169310 0.143126 F\n0.701412 0.588151 0.955488 F\n0.741440 0.661450 0.567904 F\n0.582660 0.830690 0.856873 F\n0.298588 0.411849 0.044512 F\n0.298588 0.088151 0.544512 F\n0.016507 0.706180 0.008635 F\n0.741440 0.838549 0.067904 F\n0.894541 0.546963 0.405802 F\n0.105459 0.453037 0.594198 F\n0.894540 0.953037 0.905802 F\n0.258559 0.338549 0.432095 F\n0.135588 0.204945 0.705338 F\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Sb",
"S",
"Br",
"F"
],
"chemical_system": "Br-F-S-Sb",
"density": 3.709742664030701,
"density_atomic": 0.04842034309006605,
"volume": 908.7089680086772,
"volume_molar": 12.437212080051344,
"formula_full": "Sb4 S4 Br12 F24",
"formula_reduced": "SbS(BrF2)3",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 0.1226554645454546,
"spacegroup": 14
},
{
"id": "jvasp-100857",
"created_at": "2022-09-04T14:37:09.840048Z",
"updated_at": "2022-09-04T14:37:09.840071Z",
"structure_string": "Sb4 S3 N2\n1.0\n5.461811 0.333301 4.646100\n1.051598 3.572512 -0.000000\n-0.909784 0.267802 9.124413\nSb S N\n4 3 2\ndirect\n0.241178 0.879410 0.594335 Sb\n0.758823 0.120588 0.405664 Sb\n0.625204 0.687397 0.121867 Sb\n0.374797 0.312601 0.878132 Sb\n0.000000 0.000000 0.000000 S\n0.706569 0.646715 0.705792 S\n0.293432 0.353283 0.294207 S\n0.615692 0.692153 0.359129 N\n0.384309 0.307845 0.640870 N\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Sb",
"S",
"N"
],
"chemical_system": "N-S-Sb",
"density": 5.307193008220819,
"density_atomic": 0.04705876859936922,
"volume": 191.2502232393866,
"volume_molar": 12.797064052544547,
"formula_full": "Sb4 S3 N2",
"formula_reduced": "Sb4S3N2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 2.940918988888889,
"spacegroup": 12
}
]
}