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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=514",
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"results": [
{
"id": "jvasp-46510",
"created_at": "2022-09-04T14:38:28.951582Z",
"updated_at": "2022-09-04T14:38:28.951613Z",
"structure_string": "Y2 V2 O7\n1.0\n3.364226 4.711917 0.196727\n-3.364226 4.711917 -0.196727\n-1.265662 0.000000 5.001412\nY V O\n2 2 7\ndirect\n0.310623 0.310623 0.500000 Y\n0.689378 0.689378 0.500000 Y\n0.241109 0.758892 0.903606 V\n0.758892 0.241109 0.096394 V\n0.069990 0.607396 0.710513 O\n0.392605 0.930011 0.710513 O\n0.414821 0.585179 0.222902 O\n0.585180 0.414821 0.777097 O\n0.000000 0.000000 0.000000 O\n0.607396 0.069990 0.289487 O\n0.930011 0.392604 0.289487 O\n",
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{
"id": "jvasp-44144",
"created_at": "2022-09-04T14:38:28.985098Z",
"updated_at": "2022-09-04T14:38:28.985122Z",
"structure_string": "Mn6 O10 F2\n1.0\n-4.575930 4.575930 2.915683\n-0.076726 4.498672 -2.915508\n-4.498672 0.076726 -2.915508\nMn O F\n6 10 2\ndirect\n0.820616 0.662333 0.662333 Mn\n0.666667 0.333333 0.333333 Mn\n0.345387 0.648083 0.648083 Mn\n0.166667 0.333333 0.333333 Mn\n0.512717 0.004335 0.004335 Mn\n0.987947 0.018585 0.018585 Mn\n0.000188 0.700329 0.307632 O\n0.000188 0.307632 0.700329 O\n0.666667 0.637287 0.029380 O\n0.333145 0.966337 0.359036 O\n0.374208 0.427882 0.427882 O\n0.631370 0.560579 0.560579 O\n0.959124 0.238786 0.238786 O\n0.333145 0.359036 0.966337 O\n0.666667 0.029380 0.637287 O\n0.701962 0.106088 0.106088 O\n0.298508 0.895452 0.895452 F\n0.034824 0.771217 0.771217 F\n",
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"elements": [
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],
"chemical_system": "F-Mn-O",
"density": 4.950504160528423,
"density_atomic": 0.10170735217250519,
"volume": 176.97835619071387,
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"formula_full": "Mn6 O10 F2",
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"formula_anonymous": "AB3C5",
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"spacegroup": 12
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{
"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": [
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"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",
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"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,
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"elements": [
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],
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"density": 4.767169830894705,
"density_atomic": 0.06492044009266379,
"volume": 246.45550734348842,
"volume_molar": 9.276185976873132,
"formula_full": "Al12 Mo4",
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"spacegroup": 12
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{
"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": [
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],
"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",
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"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,
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"elements": [
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],
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"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,
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"elements": [
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"Zr",
"Cu",
"S"
],
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"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",
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"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,
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"elements": [
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"Ru"
],
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"density": 4.735388857221117,
"density_atomic": 0.05769138664864302,
"volume": 173.33610060203353,
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"formula_full": "Sc4 Si4 Ru2",
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"spacegroup": 12
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{
"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,
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"density": 4.200779970875069,
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"formula_full": "Sc4 Co2 Si4",
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"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,
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"elements": [
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"formula_full": "Li3 Al2 V1 O6",
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{
"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",
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"elements": [
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],
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"density_atomic": 0.040407091741822304,
"volume": 395.9700960967606,
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"formula_full": "In2 Sb4 S8 Cl2",
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"formula_anonymous": "ABC2D4",
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{
"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",
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"density": 2.2006008464864806,
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"volume": 48.368407208223786,
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"formula_full": "Ca1 C2",
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"spacegroup": 12
}
]
}