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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=3407",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=3405",
"results": [
{
"id": "jvasp-5446",
"created_at": "2022-09-04T14:38:03.665880Z",
"updated_at": "2022-09-04T14:38:03.665907Z",
"structure_string": "Sb2 S16 Cl6\n1.0\n8.067086 -0.153858 0.024194\n-3.052966 7.976211 0.175391\n-3.261653 -2.143705 9.827920\nSb S Cl\n2 16 6\ndirect\n0.811920 0.076941 0.845582 Sb\n0.188080 0.923058 0.154417 Sb\n0.161734 0.236182 0.649668 S\n0.838266 0.763817 0.350332 S\n0.348226 0.490025 0.740962 S\n0.651774 0.509974 0.259038 S\n0.288951 0.549401 0.909669 S\n0.711049 0.450598 0.090331 S\n0.885477 0.319471 0.140594 S\n0.114523 0.680528 0.859406 S\n0.936526 0.235562 0.490840 S\n0.291449 0.802779 0.443634 S\n0.708551 0.197220 0.556366 S\n0.299312 0.568976 0.389480 S\n0.700688 0.431023 0.610520 S\n0.166711 0.493591 0.182267 S\n0.833289 0.506408 0.817733 S\n0.063474 0.764437 0.509160 S\n0.756280 0.846627 0.670866 Cl\n0.484023 0.038892 0.792723 Cl\n0.515977 0.961107 0.207277 Cl\n0.772770 0.880086 0.006740 Cl\n0.227230 0.119913 -0.006740 Cl\n0.243720 0.153372 0.329133 Cl\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Sb",
"S",
"Cl"
],
"chemical_system": "Cl-S-Sb",
"density": 2.5480543263995,
"density_atomic": 0.0379946520763065,
"volume": 631.6678450377606,
"volume_molar": 15.849969484930257,
"formula_full": "Sb2 S16 Cl6",
"formula_reduced": "SbS8Cl3",
"formula_anonymous": "AB3C8",
"energy_above_hull": 1.709259858541667,
"spacegroup": 2
},
{
"id": "jvasp-88671",
"created_at": "2022-09-04T14:35:42.382533Z",
"updated_at": "2022-09-04T14:35:42.382561Z",
"structure_string": "Sb1 S24 I3\n1.0\n12.651052 -0.040629 -7.010257\n-11.892353 4.315404 -7.010257\n-0.007211 -0.040629 14.463498\nSb S I\n1 24 3\ndirect\n0.348071 0.348071 0.348071 Sb\n0.443014 0.168783 0.443014 S\n0.761061 0.625495 0.373802 S\n0.625495 0.373802 0.761061 S\n0.373802 0.761061 0.625495 S\n0.373802 0.625495 0.761061 S\n0.625495 0.761061 0.373802 S\n0.761061 0.373802 0.625495 S\n0.616645 0.424839 0.081307 S\n0.424839 0.081308 0.616646 S\n0.081307 0.616645 0.424839 S\n0.081308 0.424839 0.616645 S\n0.424839 0.616645 0.081307 S\n0.616646 0.081308 0.424839 S\n0.867909 0.734526 0.248765 S\n0.734526 0.248766 0.867909 S\n0.248766 0.867909 0.734526 S\n0.248766 0.734526 0.867909 S\n0.734526 0.867909 0.248765 S\n0.867909 0.248766 0.734526 S\n-0.016494 0.585844 0.585844 S\n0.585844 0.585844 -0.016495 S\n0.585845 -0.016494 0.585845 S\n0.443014 0.443014 0.168783 S\n0.168783 0.443014 0.443014 S\n0.118173 0.951064 0.951064 I\n0.951064 0.951064 0.118173 I\n0.951065 0.118173 0.951065 I\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Sb",
"S",
"I"
],
"chemical_system": "I-S-Sb",
"density": 2.723997586925803,
"density_atomic": 0.036109139091953714,
"volume": 775.4269612658616,
"volume_molar": 16.677608249436023,
"formula_full": "Sb1 S24 I3",
"formula_reduced": "Sb(S8I)3",
"formula_anonymous": "AB3C24",
"energy_above_hull": 2.110995175892857,
"spacegroup": 160
},
{
"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-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-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-24901",
"created_at": "2022-09-04T14:37:43.575146Z",
"updated_at": "2022-09-04T14:37:43.575177Z",
"structure_string": "Sb2 S2 Cl18\n1.0\n7.054386 -0.005294 -1.919556\n-3.361993 6.487411 -0.244130\n-0.073651 -0.021869 13.751012\nSb S Cl\n2 2 18\ndirect\n0.000000 0.000000 0.000000 Sb\n0.000000 0.500000 0.500000 Sb\n0.565827 0.150494 0.716320 S\n0.434174 0.849507 0.283680 S\n0.172936 0.794870 0.967807 Cl\n0.891640 0.701235 0.592873 Cl\n0.148111 0.036970 0.185080 Cl\n0.827065 0.205130 0.032193 Cl\n0.384352 0.211870 0.596222 Cl\n0.772368 0.431132 0.802215 Cl\n0.366333 0.687910 0.612857 Cl\n0.693161 0.693161 -0.000000 Cl\n0.615649 0.788131 0.403778 Cl\n0.306840 0.306840 -0.000000 Cl\n0.108362 0.298765 0.407127 Cl\n0.075052 0.753475 0.387142 Cl\n0.628918 0.970152 0.197784 Cl\n0.924950 0.246526 0.612857 Cl\n0.633668 0.312090 0.387142 Cl\n0.227633 0.568868 0.197785 Cl\n0.371084 0.029848 0.802215 Cl\n0.851891 0.963031 0.814920 Cl\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Sb",
"S",
"Cl"
],
"chemical_system": "Cl-S-Sb",
"density": 2.500985904168669,
"density_atomic": 0.03503351238686429,
"volume": 627.9701491834667,
"volume_molar": 17.189657415731975,
"formula_full": "Sb2 S2 Cl18",
"formula_reduced": "SbSCl9",
"formula_anonymous": "ABC9",
"energy_above_hull": 0.4434647915909088,
"spacegroup": 12
},
{
"id": "jvasp-58912",
"created_at": "2022-09-04T14:37:02.701674Z",
"updated_at": "2022-09-04T14:37:02.701693Z",
"structure_string": "Sb2 S2 Cl18\n1.0\n8.289175 -0.121491 2.234965\n1.709700 8.111851 2.234965\n-0.116474 -0.093078 8.592851\nSb S Cl\n2 2 18\ndirect\n0.000000 0.000000 0.000000 Sb\n0.500001 0.500000 0.500000 Sb\n0.706324 0.706323 0.706505 S\n0.293677 0.293676 0.293496 S\n0.968131 0.968130 0.293210 Cl\n0.653425 0.653424 0.953432 Cl\n0.346576 0.346576 0.046568 Cl\n0.046567 0.346385 0.346242 Cl\n0.653615 0.953433 0.653759 Cl\n0.953434 0.653615 0.653759 Cl\n0.346386 0.046567 0.346242 Cl\n0.685564 0.685564 0.358831 Cl\n0.314437 0.314436 0.641170 Cl\n0.358338 0.685253 0.685421 Cl\n0.641663 0.314747 0.314580 Cl\n0.685254 0.358337 0.685421 Cl\n0.968351 0.293389 0.968393 Cl\n0.706611 0.031650 0.031607 Cl\n0.031650 0.706610 0.031607 Cl\n0.293390 0.968349 0.968394 Cl\n0.031870 0.031870 0.706791 Cl\n0.314747 0.641662 0.314580 Cl\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Sb",
"S",
"Cl"
],
"chemical_system": "Cl-S-Sb",
"density": 2.6935092761881094,
"density_atomic": 0.03773035683015433,
"volume": 583.0848645040502,
"volume_molar": 15.960996041222353,
"formula_full": "Sb2 S2 Cl18",
"formula_reduced": "SbSCl9",
"formula_anonymous": "ABC9",
"energy_above_hull": 0.4429802461363634,
"spacegroup": 166
},
{
"id": "jvasp-13425",
"created_at": "2022-09-04T14:36:41.226738Z",
"updated_at": "2022-09-04T14:36:41.226772Z",
"structure_string": "Sb2 S2 Cl18\n1.0\n8.290076 -0.121868 2.234658\n1.709531 8.112812 2.234658\n-0.116956 -0.093463 8.593405\nSb S Cl\n2 2 18\ndirect\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Sb\n0.706418 0.706418 0.706590 S\n0.293582 0.293582 0.293411 S\n0.968146 0.968146 0.293170 Cl\n0.653538 0.653539 0.953485 Cl\n0.346462 0.346461 0.046516 Cl\n0.046511 0.346277 0.346148 Cl\n0.653723 0.953488 0.653853 Cl\n0.953489 0.653723 0.653853 Cl\n0.346277 0.046511 0.346148 Cl\n0.685543 0.685543 0.358880 Cl\n0.314457 0.314457 0.641121 Cl\n0.358394 0.685233 0.685404 Cl\n0.641605 0.314767 0.314597 Cl\n0.685233 0.358395 0.685404 Cl\n0.968359 0.293347 0.968397 Cl\n0.706653 0.031641 0.031604 Cl\n0.031641 0.706653 0.031604 Cl\n0.293347 0.968359 0.968397 Cl\n0.031854 0.031854 0.706831 Cl\n0.314767 0.641605 0.314597 Cl\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Sb",
"S",
"Cl"
],
"chemical_system": "Cl-S-Sb",
"density": 2.692638259482217,
"density_atomic": 0.03771815573197773,
"volume": 583.2734812468108,
"volume_molar": 15.966159116561432,
"formula_full": "Sb2 S2 Cl18",
"formula_reduced": "SbSCl9",
"formula_anonymous": "ABC9",
"energy_above_hull": 0.4429702461363634,
"spacegroup": 166
},
{
"id": "jvasp-123706",
"created_at": "2022-09-04T14:38:55.131011Z",
"updated_at": "2022-09-04T14:38:55.131035Z",
"structure_string": "Sb1 Se2\n1.0\n1.972763 -3.401294 -0.050296\n1.959227 3.393480 -0.000000\n0.008821 -0.005093 5.986117\nSb Se\n1 2\ndirect\n0.000000 0.333279 0.166667 Sb\n0.671383 0.669053 0.451186 Se\n0.328615 -0.002331 0.882147 Se\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Sb",
"Se"
],
"chemical_system": "Sb-Se",
"density": 5.807626780461168,
"density_atomic": 0.037515388263982936,
"volume": 79.96718516919051,
"volume_molar": 16.052454842328324,
"formula_full": "Sb1 Se2",
"formula_reduced": "SbSe2",
"formula_anonymous": "AB2",
"energy_above_hull": null,
"spacegroup": 164
},
{
"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-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-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
}
]
}