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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4146",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4144",
"results": [
{
"id": "jvasp-29478",
"created_at": "2022-09-04T14:38:29.036109Z",
"updated_at": "2022-09-04T14:38:29.036125Z",
"structure_string": "In2 Sb4 S8 Br2\n1.0\n3.858055 0.000000 0.672035\n1.241106 9.329718 4.285274\n0.020068 -0.014590 11.295078\nIn Sb S Br\n2 4 8 2\ndirect\n0.662559 0.105994 0.568887 In\n0.337441 0.894006 0.431113 In\n0.293843 0.312325 0.099990 Sb\n0.951879 0.314645 0.781596 Sb\n0.048121 0.685355 0.218404 Sb\n0.706157 0.687675 0.900011 Sb\n0.679635 0.507240 0.133490 S\n0.102106 0.822238 0.973551 S\n0.213939 0.920347 0.651778 S\n0.535396 0.139721 0.789487 S\n0.786062 0.079654 0.348222 S\n0.464605 0.860280 0.210513 S\n0.320366 0.492761 0.866510 S\n0.897894 0.177763 0.026449 S\n0.897982 0.671344 0.532692 Br\n0.102018 0.328657 0.467308 Br\n",
"nsites": 16,
"nelements": 4,
"elements": [
"In",
"Sb",
"S",
"Br"
],
"chemical_system": "Br-In-S-Sb",
"density": 4.626410095971298,
"density_atomic": 0.03934445819580853,
"volume": 406.6646418250722,
"volume_molar": 15.306198219909799,
"formula_full": "In2 Sb4 S8 Br2",
"formula_reduced": "InSb2S4Br",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.4265120343749995,
"spacegroup": 12
},
{
"id": "jvasp-54913",
"created_at": "2022-09-04T14:38:29.166480Z",
"updated_at": "2022-09-04T14:38:29.166505Z",
"structure_string": "Al12 Mo4\n1.0\n3.536952 -0.000036 -0.775376\n-0.369881 8.254596 -1.687205\n-0.003518 0.008621 8.440310\nAl Mo\n12 4\ndirect\n0.126272 0.657058 0.252560 Al\n0.125401 0.147081 0.250831 Al\n0.624906 0.397645 0.249823 Al\n0.748729 0.695164 0.497442 Al\n0.503021 0.598187 0.006091 Al\n0.749595 0.205140 0.499162 Al\n0.371981 0.754042 0.743913 Al\n0.003588 0.858506 0.007182 Al\n0.497694 0.094220 0.995423 Al\n0.250093 0.954579 0.500179 Al\n0.377300 0.258007 0.754566 Al\n0.871414 0.493722 0.742825 Al\n0.010704 0.356331 0.021495 Mo\n0.632829 0.904942 0.265750 Mo\n0.242171 0.447281 0.484253 Mo\n0.864295 0.995894 0.728505 Mo\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Al",
"Mo"
],
"chemical_system": "Al-Mo",
"density": 4.767169830894705,
"density_atomic": 0.06492044009266379,
"volume": 246.45550734348842,
"volume_molar": 9.276185976873132,
"formula_full": "Al12 Mo4",
"formula_reduced": "Al3Mo",
"formula_anonymous": "AB3",
"energy_above_hull": 2.6809460750000005,
"spacegroup": 12
},
{
"id": "jvasp-12746",
"created_at": "2022-09-04T14:38:29.315956Z",
"updated_at": "2022-09-04T14:38:29.315966Z",
"structure_string": "Rb2 Au2 Br6\n1.0\n6.621581 0.000000 3.125332\n2.543474 6.052507 3.188364\n0.098294 0.123278 8.368921\nRb Au Br\n2 2 6\ndirect\n0.268870 0.231240 0.231019 Rb\n0.731129 0.768761 0.768981 Rb\n0.000000 0.000000 0.000000 Au\n0.499999 0.500000 0.500000 Au\n0.203666 0.257147 0.816244 Br\n0.277056 0.742854 0.183756 Br\n0.796332 0.742854 0.183756 Br\n0.722942 0.257147 0.816243 Br\n0.722247 0.198534 0.356969 Br\n0.277751 0.801467 0.643030 Br\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"Au",
"Br"
],
"chemical_system": "Au-Br-Rb",
"density": 5.224408638636026,
"density_atomic": 0.030127686495985916,
"volume": 331.9206073567035,
"volume_molar": 19.9887261864676,
"formula_full": "Rb2 Au2 Br6",
"formula_reduced": "RbAuBr3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 12
},
{
"id": "jvasp-20803",
"created_at": "2022-09-04T14:38:29.356451Z",
"updated_at": "2022-09-04T14:38:29.356480Z",
"structure_string": "Nb6 C5\n1.0\n5.212688 0.000000 1.850967\n2.606344 4.782126 0.925484\n0.011423 0.000000 5.520666\nNb C\n6 5\ndirect\n0.736097 0.000000 0.736070 Nb\n0.263903 0.000000 0.263931 Nb\n0.435143 0.647639 0.746772 Nb\n0.917217 0.647639 0.253230 Nb\n0.564856 0.352362 0.253230 Nb\n0.082782 0.352362 0.746771 Nb\n0.500000 0.000000 0.500001 C\n0.335129 0.329740 0.000000 C\n0.664870 0.670261 0.000000 C\n0.166716 0.666566 0.500000 C\n0.833282 0.333435 0.500001 C\n",
"nsites": 11,
"nelements": 2,
"elements": [
"Nb",
"C"
],
"chemical_system": "C-Nb",
"density": 7.456332455564334,
"density_atomic": 0.07999036356064636,
"volume": 137.51656462543917,
"volume_molar": 7.52858280914574,
"formula_full": "Nb6 C5",
"formula_reduced": "Nb6C5",
"formula_anonymous": "A5B6",
"energy_above_hull": 6.890676036363636,
"spacegroup": 12
},
{
"id": "jvasp-25900",
"created_at": "2022-09-04T14:38:29.661430Z",
"updated_at": "2022-09-04T14:38:29.661445Z",
"structure_string": "Na2 Zr1 Cu2 S4\n1.0\n3.600924 -0.000000 -0.980848\n-0.707711 6.517183 -2.598173\n0.003214 0.002385 7.112143\nNa Zr Cu S\n2 1 2 4\ndirect\n0.137208 0.559610 0.274417 Na\n0.862790 0.440389 0.725582 Na\n0.000000 0.000000 0.000000 Zr\n0.679287 0.989006 0.358575 Cu\n0.320711 0.010992 0.641424 Cu\n0.204422 0.205949 0.408846 S\n0.795576 0.794050 0.591153 S\n0.509841 0.749968 0.019682 S\n0.490157 0.250031 0.980317 S\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Na",
"Zr",
"Cu",
"S"
],
"chemical_system": "Cu-Na-S-Zr",
"density": 3.904451600751954,
"density_atomic": 0.053907891612591866,
"volume": 166.9514375497811,
"volume_molar": 11.171167300101459,
"formula_full": "Na2 Zr1 Cu2 S4",
"formula_reduced": "Na2Zr(CuS2)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 1.1391037111111113,
"spacegroup": 12
},
{
"id": "jvasp-21918",
"created_at": "2022-09-04T14:38:29.768283Z",
"updated_at": "2022-09-04T14:38:29.768312Z",
"structure_string": "Sc4 Si4 Ru2\n1.0\n3.968791 -0.000000 0.963030\n1.902950 5.033986 0.817164\n-0.003553 -0.013807 8.674148\nSc Si Ru\n4 4 2\ndirect\n0.817317 0.257615 0.107750 Sc\n0.005330 0.666495 0.322845 Sc\n0.182684 0.742385 0.892250 Sc\n0.994670 0.333505 0.677155 Sc\n0.485882 0.149423 0.878816 Si\n0.360221 0.714149 0.565409 Si\n0.514119 0.850578 0.121184 Si\n0.639780 0.285851 0.434590 Si\n0.729196 0.911359 0.630248 Ru\n0.270805 0.088641 0.369751 Ru\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Sc",
"Si",
"Ru"
],
"chemical_system": "Ru-Sc-Si",
"density": 4.735388857221117,
"density_atomic": 0.05769138664864302,
"volume": 173.33610060203353,
"volume_molar": 10.438543966149666,
"formula_full": "Sc4 Si4 Ru2",
"formula_reduced": "Sc2Si2Ru",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.23231764,
"spacegroup": 12
},
{
"id": "jvasp-22456",
"created_at": "2022-09-04T14:38:32.247477Z",
"updated_at": "2022-09-04T14:38:32.247506Z",
"structure_string": "Sc4 Co2 Si4\n1.0\n3.857707 -0.000000 0.920700\n1.872888 4.928972 0.694844\n0.004196 -0.010917 8.524608\nSc Co Si\n4 2 4\ndirect\n0.683701 0.737396 0.895206 Sc\n0.499628 0.672473 0.328271 Sc\n0.316302 0.262603 0.104793 Sc\n0.500374 0.327526 0.671728 Sc\n0.225794 0.922633 0.625781 Co\n0.774209 0.077366 0.374219 Co\n0.013090 0.848807 0.125014 Si\n0.854357 0.721565 0.569724 Si\n0.986913 0.151192 0.874986 Si\n0.145645 0.278434 0.430275 Si\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Sc",
"Co",
"Si"
],
"chemical_system": "Co-Sc-Si",
"density": 4.200779970875069,
"density_atomic": 0.061696857685888215,
"volume": 162.0828089967259,
"volume_molar": 9.760854905544779,
"formula_full": "Sc4 Co2 Si4",
"formula_reduced": "Sc2CoSi2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.97907372,
"spacegroup": 12
},
{
"id": "jvasp-46517",
"created_at": "2022-09-04T14:38:29.940446Z",
"updated_at": "2022-09-04T14:38:29.940474Z",
"structure_string": "Li3 Al2 V1 O6\n1.0\n2.490928 4.312284 0.013878\n-2.490928 4.312284 -0.013878\n-1.692513 0.000000 4.748198\nLi Al V O\n3 2 1 6\ndirect\n0.167951 0.167951 0.500000 Li\n0.500000 0.499999 0.500000 Li\n0.832048 0.832048 0.500000 Li\n0.333466 0.333466 0.000000 Al\n0.666533 0.666533 -0.000000 Al\n0.000000 0.000000 0.000000 V\n0.273990 0.726009 0.778796 O\n0.420678 0.926545 0.219272 O\n0.073454 0.579321 0.219272 O\n0.926545 0.420677 0.780728 O\n0.579322 0.073454 0.780728 O\n0.726010 0.273990 0.221205 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Li",
"Al",
"V",
"O"
],
"chemical_system": "Al-Li-O-V",
"density": 3.602241113984046,
"density_atomic": 0.11740653395081443,
"volume": 102.2089622799631,
"volume_molar": 5.129306314862236,
"formula_full": "Li3 Al2 V1 O6",
"formula_reduced": "Li3Al2VO6",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 2.238832566666667,
"spacegroup": 12
},
{
"id": "jvasp-25902",
"created_at": "2022-09-04T14:38:29.997345Z",
"updated_at": "2022-09-04T14:38:29.997355Z",
"structure_string": "In2 Sb4 S8 Cl2\n1.0\n3.901599 -0.000009 -0.000614\n-1.950501 9.997008 -0.068739\n-1.948711 -4.462781 10.183090\nIn Sb S Cl\n2 4 8 2\ndirect\n0.274438 0.112430 0.436508 In\n0.725563 0.887570 0.563492 In\n0.773853 0.323232 0.224555 Sb\n0.104327 0.307402 0.901080 Sb\n0.226148 0.676769 0.775445 Sb\n0.895674 0.692598 0.098920 Sb\n0.632993 0.918937 0.347019 S\n0.317078 0.498044 0.136129 S\n0.181209 0.145077 0.217362 S\n0.577171 0.175423 0.978827 S\n0.818792 0.854923 0.782638 S\n0.367008 0.081063 0.652981 S\n0.682923 0.501956 0.863872 S\n0.422830 0.824577 0.021173 S\n0.074767 0.678397 0.470996 Cl\n0.925234 0.321603 0.529005 Cl\n",
"nsites": 16,
"nelements": 4,
"elements": [
"In",
"Sb",
"S",
"Cl"
],
"chemical_system": "Cl-In-S-Sb",
"density": 4.37854317183468,
"density_atomic": 0.040407091741822304,
"volume": 395.9700960967606,
"volume_molar": 14.903672846533867,
"formula_full": "In2 Sb4 S8 Cl2",
"formula_reduced": "InSb2S4Cl",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.4476557796875,
"spacegroup": 12
},
{
"id": "jvasp-117965",
"created_at": "2022-09-04T14:38:30.036507Z",
"updated_at": "2022-09-04T14:38:30.036532Z",
"structure_string": "Ca1 C2\n1.0\n6.552533 -0.289124 -0.771441\n1.657417 -3.723034 -0.126232\n2.860314 -0.616423 -2.349916\nCa C\n1 2\ndirect\n0.036222 0.192383 0.590724 Ca\n0.665352 0.565344 0.441910 C\n0.407109 0.819356 0.739514 C\n",
"nsites": 3,
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"elements": [
"Ca",
"C"
],
"chemical_system": "C-Ca",
"density": 2.2006008464864806,
"density_atomic": 0.06202395681720791,
"volume": 48.368407208223786,
"volume_molar": 9.70937855149741,
"formula_full": "Ca1 C2",
"formula_reduced": "CaC2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.3778234733333328,
"spacegroup": 12
},
{
"id": "jvasp-25205",
"created_at": "2022-09-04T14:38:30.195072Z",
"updated_at": "2022-09-04T14:38:30.195097Z",
"structure_string": "F4\n1.0\n3.035135 0.062362 0.705761\n1.444063 2.670321 0.705761\n0.336591 0.205349 7.125984\nF\n4\ndirect\n0.495761 0.495762 0.400654 F\n0.912261 0.912262 0.098918 F\n0.504236 0.504237 0.599346 F\n0.087737 0.087738 0.901081 F\n",
"nsites": 4,
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"elements": [
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],
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"density_atomic": 0.07109503352796324,
"volume": 56.26272049547191,
"volume_molar": 8.47055055910672,
"formula_full": "F4",
"formula_reduced": "F",
"formula_anonymous": "A",
"energy_above_hull": 0.0060802824999999,
"spacegroup": 12
},
{
"id": "jvasp-16657",
"created_at": "2022-09-04T14:38:30.339597Z",
"updated_at": "2022-09-04T14:38:30.339626Z",
"structure_string": "Co3 Se4\n1.0\n3.557705 0.000277 -0.000069\n-0.001294 6.133738 0.002520\n-1.777542 -2.869107 5.202687\nCo Se\n3 4\ndirect\n0.762987 0.783633 0.525996 Co\n0.500001 0.500000 -0.000000 Co\n0.237016 0.216368 0.474004 Co\n0.133112 0.475238 0.266283 Se\n0.866891 0.524762 0.733717 Se\n0.378913 0.046036 0.757863 Se\n0.621090 0.953965 0.242137 Se\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Co",
"Se"
],
"chemical_system": "Co-Se",
"density": 7.203773333195843,
"density_atomic": 0.061642419419954214,
"volume": 113.55816442425419,
"volume_molar": 9.769475008715473,
"formula_full": "Co3 Se4",
"formula_reduced": "Co3Se4",
"formula_anonymous": "A3B4",
"energy_above_hull": 2.4732451666666666,
"spacegroup": 12
}
]
}