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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=326",
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"results": [
{
"id": "jvasp-40900",
"created_at": "2022-09-04T14:37:36.784140Z",
"updated_at": "2022-09-04T14:37:36.784167Z",
"structure_string": "Li2 Si2 Bi2 O8\n1.0\n5.067155 -0.004352 0.009945\n-2.537347 4.394814 -0.019889\n0.001979 -0.003428 8.171641\nLi Si Bi O\n2 2 2 8\ndirect\n0.406513 0.691483 0.046688 Li\n0.593486 0.284970 0.546688 Li\n0.290450 0.646465 0.452055 Si\n0.709548 0.356014 0.952055 Si\n0.069669 0.977923 0.214270 Bi\n-0.069671 0.908253 0.714270 Bi\n-0.037900 0.634667 0.486128 O\n0.394189 0.816116 0.271326 O\n0.535963 0.883104 0.588619 O\n0.254120 0.306891 0.452396 O\n0.464035 0.347140 0.088619 O\n0.605809 0.421925 0.771326 O\n0.745879 0.052772 -0.047604 O\n0.037899 0.672567 -0.013872 O\n",
"nsites": 14,
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"volume": 181.88535734883223,
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{
"id": "jvasp-58324",
"created_at": "2022-09-04T14:37:37.993661Z",
"updated_at": "2022-09-04T14:37:37.993678Z",
"structure_string": "K2 Li2 S2 O8\n1.0\n5.075636 0.000000 0.054462\n2.537818 4.469259 0.027231\n-0.044531 0.000000 8.677431\nK Li S O\n2 2 2 8\ndirect\n0.960990 0.008686 0.494388 K\n0.969676 0.991314 0.994388 K\n0.632703 0.664452 0.308572 Li\n0.297155 0.335548 0.808572 Li\n0.298232 0.334009 0.197727 S\n0.632242 0.665991 0.697727 S\n0.013017 0.336755 0.240120 O\n0.349773 0.663245 0.740120 O\n0.562859 0.055295 0.254450 O\n0.618155 0.944705 0.754450 O\n0.663629 0.654920 0.527422 O\n0.318548 0.345080 0.027423 O\n0.898168 0.400697 0.764319 O\n0.298864 0.599303 0.264319 O\n",
"nsites": 14,
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"elements": [
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],
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"density_atomic": 0.07111921601997423,
"volume": 196.85256367376184,
"volume_molar": 8.467670338644691,
"formula_full": "K2 Li2 S2 O8",
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},
{
"id": "jvasp-31165",
"created_at": "2022-09-04T14:37:40.617191Z",
"updated_at": "2022-09-04T14:37:40.617217Z",
"structure_string": "Br2 O4 F2\n1.0\n6.335131 -0.040192 -0.018465\n4.285520 4.733666 -0.057608\n4.292226 1.861517 4.271697\nBr O F\n2 4 2\ndirect\n0.276798 0.221275 0.245728 Br\n0.745728 0.721276 0.776797 Br\n0.089117 0.504953 0.777464 O\n0.491201 0.785887 0.094010 O\n0.277463 0.004953 0.589118 O\n0.594011 0.285887 0.991202 O\n0.781627 0.109088 0.486452 F\n0.986452 0.609089 0.281626 F\n",
"nsites": 8,
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"elements": [
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],
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"density": 3.3504338315718076,
"density_atomic": 0.061654999815201776,
"volume": 129.75427822525927,
"volume_molar": 9.767481596058929,
"formula_full": "Br2 O4 F2",
"formula_reduced": "BrO2F",
"formula_anonymous": "ABC2",
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"spacegroup": 9
},
{
"id": "jvasp-24990",
"created_at": "2022-09-04T14:37:43.024220Z",
"updated_at": "2022-09-04T14:37:43.024247Z",
"structure_string": "Sr2 Li2 B6 S12\n1.0\n7.142332 0.039644 3.081928\n1.868619 7.309193 4.278039\n0.012839 0.000381 8.672802\nSr Li B S\n2 2 6 12\ndirect\n0.974407 0.137810 0.380924 Sr\n0.474407 0.380923 0.137811 Sr\n0.936572 0.489188 0.705990 Li\n0.436572 0.705989 0.489189 Li\n0.943400 0.014105 0.026579 B\n0.041942 0.758489 0.839157 B\n0.541942 0.839156 0.758489 B\n0.023163 0.604587 0.248433 B\n0.443400 0.026578 0.014106 B\n0.523163 0.248433 0.604587 B\n0.436439 0.253671 0.829846 S\n0.936439 0.829845 0.253673 S\n0.076276 0.731811 0.637709 S\n0.087594 0.403698 0.441286 S\n0.563478 0.052639 0.555141 S\n0.587594 0.441286 0.403698 S\n0.063478 0.555141 0.052640 S\n0.576276 0.637709 0.731811 S\n0.992843 0.992310 0.813490 S\n0.492843 0.813489 0.992311 S\n0.405377 0.017022 0.236252 S\n0.905377 0.236252 0.017023 S\n",
"nsites": 22,
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"elements": [
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],
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"density_atomic": 0.04869175047909192,
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"formula_full": "Sr2 Li2 B6 S12",
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{
"id": "jvasp-52465",
"created_at": "2022-09-04T14:37:44.147050Z",
"updated_at": "2022-09-04T14:37:44.147070Z",
"structure_string": "Rb4 Zr2 O6\n1.0\n3.276634 6.481985 0.457677\n-3.276634 6.481985 -0.457677\n-1.752381 0.000000 5.629148\nRb Zr O\n4 2 6\ndirect\n0.622110 0.554836 0.532018 Rb\n0.256429 0.234840 0.526647 Rb\n0.445165 0.377891 0.032018 Rb\n0.765161 0.743572 0.026646 Rb\n0.985228 0.912274 0.534617 Zr\n0.087726 0.014773 0.034617 Zr\n0.259680 0.799539 0.779518 O\n0.200462 0.740321 0.279518 O\n0.844699 0.752132 0.538380 O\n0.812384 0.129308 0.786622 O\n0.247868 0.155302 0.038380 O\n0.870692 0.187617 0.286622 O\n",
"nsites": 12,
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"elements": [
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],
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"density": 4.128268233822302,
"density_atomic": 0.04809360733350429,
"volume": 249.51341072808714,
"volume_molar": 12.52170734093529,
"formula_full": "Rb4 Zr2 O6",
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"formula_anonymous": "AB2C3",
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"spacegroup": 9
},
{
"id": "jvasp-49927",
"created_at": "2022-09-04T14:37:50.259359Z",
"updated_at": "2022-09-04T14:37:50.259382Z",
"structure_string": "Bi4 Se2 O12\n1.0\n5.746835 -0.116874 -0.000109\n-0.107347 5.760967 0.000112\n2.873614 -0.058866 7.862414\nBi Se O\n4 2 12\ndirect\n0.124775 0.502829 0.655289 Bi\n0.621863 0.010281 0.656322 Bi\n0.280064 0.002820 0.344711 Bi\n0.778184 0.510269 0.343682 Bi\n0.002749 0.085609 0.050824 Se\n0.553574 0.585638 -0.050825 Se\n0.160045 0.283444 0.129237 O\n0.473016 0.608279 0.161734 O\n0.451096 0.264410 0.505665 O\n0.456771 0.764410 0.494332 O\n-0.043936 0.248091 0.496931 O\n0.789230 0.783523 0.870766 O\n0.676872 0.337802 0.855439 O\n0.032253 0.837756 0.144551 O\n0.134762 0.108255 0.838265 O\n0.348764 0.659228 0.858135 O\n-0.047009 0.748093 0.503073 O\n0.706916 0.159267 0.141864 O\n",
"nsites": 18,
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"elements": [
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],
"chemical_system": "Bi-O-Se",
"density": 7.567539825083192,
"density_atomic": 0.0691757821233305,
"volume": 260.20667128719384,
"volume_molar": 8.705562228791843,
"formula_full": "Bi4 Se2 O12",
"formula_reduced": "Bi2SeO6",
"formula_anonymous": "AB2C6",
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"spacegroup": 9
},
{
"id": "jvasp-48204",
"created_at": "2022-09-04T14:37:51.417610Z",
"updated_at": "2022-09-04T14:37:51.417637Z",
"structure_string": "Li2 Mn2 C4 O12\n1.0\n5.354593 0.007006 -0.237159\n2.669880 6.001510 -0.120894\n2.054511 0.005120 7.635646\nLi Mn C O\n2 2 4 12\ndirect\n0.518278 -0.055352 0.683437 Li\n0.214417 0.552821 0.183408 Li\n0.613283 0.515159 0.500211 Mn\n0.879634 0.982291 0.000247 Mn\n0.350736 0.594939 0.790077 C\n0.918331 0.107775 0.700860 C\n0.696979 0.902496 0.290123 C\n0.777890 0.389519 0.200861 C\n0.923477 0.455865 0.276281 O\n0.526533 0.426979 0.299452 O\n0.955696 0.884224 0.241296 O\n0.591008 0.862976 0.441444 O\n0.905285 0.197049 0.555434 O\n0.704437 0.070471 0.799609 O\n0.591254 0.613105 0.741287 O\n0.274245 0.537978 0.660838 O\n0.563431 0.959593 0.160924 O\n0.205255 0.634439 0.941408 O\n0.130383 0.041446 0.776169 O\n0.854401 0.300099 0.055470 O\n",
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"elements": [
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],
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"density_atomic": 0.08059442780110376,
"volume": 248.15611383652126,
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"formula_full": "Li2 Mn2 C4 O12",
"formula_reduced": "LiMn(CO3)2",
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"spacegroup": 9
},
{
"id": "jvasp-54701",
"created_at": "2022-09-04T14:37:50.714255Z",
"updated_at": "2022-09-04T14:37:50.714277Z",
"structure_string": "H4 S2 O8\n1.0\n3.729182 2.282640 -1.729729\n-3.729182 2.282640 1.729729\n-0.562206 0.000000 8.549402\nH S O\n4 2 8\ndirect\n0.717192 0.537779 0.604650 H\n0.462221 0.282808 0.104650 H\n0.295240 0.758928 0.883801 H\n0.241072 0.704760 0.383801 H\n0.888237 0.930178 0.735818 S\n0.069823 0.111762 0.235818 S\n0.736606 0.712300 0.882595 O\n0.687576 0.753072 0.576527 O\n0.246928 0.312424 0.076527 O\n0.287700 0.263393 0.382596 O\n0.261101 0.959273 0.787308 O\n0.919658 0.277351 0.659534 O\n0.722649 0.080342 0.159534 O\n0.040728 0.738898 0.287308 O\n",
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"density_atomic": 0.09921201097641269,
"volume": 141.11194665057693,
"volume_molar": 6.069971468909891,
"formula_full": "H4 S2 O8",
"formula_reduced": "H2SO4",
"formula_anonymous": "AB2C4",
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},
{
"id": "jvasp-42524",
"created_at": "2022-09-04T14:37:50.994418Z",
"updated_at": "2022-09-04T14:37:50.994435Z",
"structure_string": "Li4 Fe2 O4 F2\n1.0\n2.598768 4.300299 -0.018663\n-2.598768 4.300299 0.018663\n-2.024105 0.000000 4.754756\nLi Fe O F\n4 2 4 2\ndirect\n0.253060 0.245517 0.746103 Li\n0.564416 0.598480 0.770447 Li\n0.401519 0.435585 0.270447 Li\n0.754483 0.746941 0.246103 Li\n0.931157 0.865572 0.746524 Fe\n0.134428 0.068844 0.246524 Fe\n0.152082 0.706455 0.493969 O\n0.293546 0.847917 0.993969 O\n0.004421 0.484852 0.006258 O\n0.515149 -0.004422 0.506259 O\n0.663359 0.167612 0.986700 F\n0.832388 0.336642 0.486700 F\n",
"nsites": 12,
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"density_atomic": 0.11326261772514691,
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{
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"created_at": "2022-09-04T14:37:58.060916Z",
"updated_at": "2022-09-04T14:37:58.060933Z",
"structure_string": "Y2 P6 O18\n1.0\n-0.000000 -6.763391 0.000000\n-5.637043 -3.381695 4.347968\n-5.594060 -3.381695 -5.736460\nY P O\n2 6 18\ndirect\n0.784838 0.149669 0.745288 Y\n0.320206 0.649669 0.245288 Y\n0.810401 0.682471 0.909979 P\n0.597151 0.182471 0.409980 P\n0.213870 0.389489 0.020253 P\n0.376390 0.889489 0.520252 P\n-0.012781 0.118361 0.079666 P\n0.814755 0.618361 0.579666 P\n0.959265 0.684654 0.414886 O\n0.941196 0.184654 0.914887 O\n0.139822 0.934459 0.643951 O\n0.281769 0.434459 0.143951 O\n0.434546 0.790928 0.373818 O\n0.400710 0.290928 0.873818 O\n0.741851 0.088030 0.524439 O\n0.645681 0.588030 0.024439 O\n0.746450 0.131943 0.222067 O\n0.729880 0.891340 0.909070 O\n0.899542 0.631943 0.722066 O\n0.163473 0.925540 0.102343 O\n0.554476 0.771562 0.625093 O\n0.048870 0.271562 0.125094 O\n0.414040 0.086854 0.451643 O\n0.047464 0.586854 0.951643 O\n0.469711 0.391340 0.409070 O\n0.808645 0.425540 0.602344 O\n",
"nsites": 26,
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],
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"density_atomic": 0.0678478951428278,
"volume": 383.21011941884035,
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"formula_full": "Y2 P6 O18",
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},
{
"id": "jvasp-47262",
"created_at": "2022-09-04T14:37:59.286032Z",
"updated_at": "2022-09-04T14:37:59.286047Z",
"structure_string": "V2 F10\n1.0\n4.813117 0.313046 0.488684\n-1.294414 4.644916 -0.484904\n-1.325663 -2.783743 7.511366\nV F\n2 10\ndirect\n0.038752 -0.001571 0.042040 V\n0.542206 0.000167 0.541603 V\n0.214659 0.326786 0.009699 F\n0.180138 0.783432 0.858696 F\n0.416041 0.332456 0.623524 F\n0.711471 0.981704 0.731991 F\n0.182742 0.787097 0.506572 F\n0.818238 0.224491 0.482228 F\n0.245773 0.022173 0.233817 F\n0.578828 0.679871 0.357329 F\n0.782300 0.199272 0.120906 F\n0.759923 0.658493 -0.018855 F\n",
"nsites": 12,
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"elements": [
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"density": 2.860242594708781,
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"volume": 169.44597978687824,
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},
{
"id": "jvasp-45849",
"created_at": "2022-09-04T14:37:59.646853Z",
"updated_at": "2022-09-04T14:37:59.646884Z",
"structure_string": "Li2 Co2 P2 O8\n1.0\n4.904721 -0.089804 -0.084495\n-2.530134 4.382320 0.168992\n-0.147802 0.256001 8.674891\nLi Co P O\n2 2 2 8\ndirect\n-0.119425 0.949847 0.686228 Li\n0.119426 0.069275 0.186228 Li\n0.409193 0.691836 0.355017 Co\n0.590809 0.282645 0.855017 Co\n0.276754 0.639424 0.723989 P\n0.723247 0.362671 0.223990 P\n-0.054473 0.608983 0.724785 O\n0.452937 0.786228 0.568197 O\n0.510491 0.862562 0.843667 O\n0.228460 0.313234 0.758565 O\n0.489511 0.352073 0.343667 O\n0.547064 0.333292 0.068197 O\n0.771542 0.084775 0.258565 O\n0.054475 0.663457 0.224785 O\n",
"nsites": 14,
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"elements": [
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],
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"density": 2.8987827036954004,
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"volume": 184.27758020430258,
"volume_molar": 7.926753763589284,
"formula_full": "Li2 Co2 P2 O8",
"formula_reduced": "LiCoPO4",
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"spacegroup": 9
}
]
}