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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=202",
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"results": [
{
"id": "jvasp-14260",
"created_at": "2022-09-04T14:35:55.870484Z",
"updated_at": "2022-09-04T14:35:55.870509Z",
"structure_string": "Rb1 V1 P2 S7\n1.0\n6.437347 0.016355 -0.608220\n-0.746002 6.393995 -0.608220\n0.003396 0.003825 6.422323\nRb V P S\n1 1 2 7\ndirect\n0.109980 0.890022 0.500000 Rb\n0.499952 0.500050 0.000000 V\n0.051537 0.345378 0.083359 P\n0.654624 0.948465 0.916641 P\n0.989779 0.010222 0.000000 S\n0.547143 0.186505 0.769502 S\n0.315131 0.369529 0.287077 S\n0.630472 0.684871 0.712923 S\n0.524638 0.856845 0.175264 S\n0.143157 0.475364 0.824736 S\n0.813497 0.452859 0.230497 S\n",
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{
"id": "jvasp-88927",
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"structure_string": "K2 Hg3 Ge2 S8\n1.0\n6.412299 0.101927 0.351317\n0.957603 6.341212 0.351317\n-0.060631 -0.053006 9.743263\nK Hg Ge S\n2 3 2 8\ndirect\n0.614408 0.933878 0.237751 K\n0.066122 0.385592 0.762249 K\n0.481000 0.519000 0.000000 Hg\n0.162940 0.837060 0.500000 Hg\n0.650718 0.349281 0.500000 Hg\n0.572493 0.897208 0.733818 Ge\n0.102791 0.427507 0.266182 Ge\n0.246449 0.277193 0.069098 S\n0.722807 0.753551 0.930902 S\n0.229900 0.853477 0.746563 S\n0.146523 0.770099 0.253438 S\n0.760079 0.389701 0.256327 S\n0.236519 0.267040 0.453995 S\n0.732959 0.763481 0.546006 S\n0.610299 0.239921 0.743674 S\n",
"nsites": 15,
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"elements": [
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"density": 4.542326721405761,
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"volume": 395.4615795860521,
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"formula_full": "K2 Hg3 Ge2 S8",
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{
"id": "jvasp-91985",
"created_at": "2022-09-04T14:35:56.133333Z",
"updated_at": "2022-09-04T14:35:56.133367Z",
"structure_string": "Bi2 C1 O5\n1.0\n0.017352 3.926446 -0.072725\n2.086517 -2.086259 7.149018\n3.926448 0.017289 0.072837\nBi C O\n2 1 5\ndirect\n0.853172 0.678310 0.131638 Bi\n0.137262 0.322686 0.847639 Bi\n0.455659 0.000467 0.449774 C\n0.223103 0.000504 0.217091 O\n0.672233 0.161536 0.455782 O\n0.249990 0.500499 0.244403 O\n0.461539 0.839353 0.666315 O\n0.745563 0.500494 0.739974 O\n",
"nsites": 8,
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"density": 7.767842640425625,
"density_atomic": 0.07338342160088557,
"volume": 109.0164484767423,
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"formula_full": "Bi2 C1 O5",
"formula_reduced": "Bi2CO5",
"formula_anonymous": "AB2C5",
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"spacegroup": 5
},
{
"id": "jvasp-90508",
"created_at": "2022-09-04T14:35:56.509636Z",
"updated_at": "2022-09-04T14:35:56.509669Z",
"structure_string": "Si3 O6\n1.0\n4.903635 -0.722480 -0.141777\n-3.077503 3.885434 0.141777\n-0.049862 0.028788 5.716901\nSi O\n3 6\ndirect\n0.064221 0.533694 0.985606 Si\n0.554364 0.554363 0.666667 Si\n0.533695 0.064220 0.347727 Si\n0.047032 0.567419 0.281266 O\n0.245462 0.392823 0.875810 O\n0.666915 0.928074 0.541781 O\n0.392823 0.245462 0.457522 O\n0.928076 0.666913 0.791552 O\n0.567420 0.047032 0.052068 O\n",
"nsites": 9,
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"elements": [
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"volume": 96.18171910445191,
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"formula_full": "Si3 O6",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
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"spacegroup": 5
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{
"id": "jvasp-97506",
"created_at": "2022-09-04T14:35:56.655304Z",
"updated_at": "2022-09-04T14:35:56.655321Z",
"structure_string": "Ba2 H8 O12\n1.0\n3.822994 4.784301 -0.446448\n-3.822994 4.784301 0.446448\n-0.029141 0.000000 6.489607\nBa H O\n2 8 12\ndirect\n0.810674 0.810674 0.750000 Ba\n0.172421 0.172421 0.250000 Ba\n0.405640 0.434562 -0.049734 H\n0.349090 0.664592 0.042500 H\n0.434562 0.405640 0.549734 H\n0.664592 0.349090 0.457500 H\n0.023890 0.328484 0.694245 H\n0.328484 0.023890 0.805756 H\n0.952326 0.664013 0.292067 H\n0.664013 0.952326 0.207933 H\n0.431583 0.079574 0.911117 O\n0.079574 0.431583 0.588884 O\n0.389868 0.778502 0.560366 O\n0.778502 0.389868 0.939635 O\n0.534175 0.284033 0.490371 O\n0.974034 0.806933 0.202830 O\n0.212398 0.912094 0.635928 O\n0.912094 0.212398 0.864073 O\n0.806933 0.974033 0.297170 O\n0.881007 0.494947 0.430072 O\n0.284033 0.534175 0.009629 O\n0.494947 0.881007 0.069928 O\n",
"nsites": 22,
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"density": 3.3222710737677925,
"density_atomic": 0.09272139885908548,
"volume": 237.26993197584065,
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"formula_full": "Ba2 H8 O12",
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{
"id": "jvasp-53082",
"created_at": "2022-09-04T14:35:57.089426Z",
"updated_at": "2022-09-04T14:35:57.089453Z",
"structure_string": "Tl1 N1 O2\n1.0\n3.461538 0.000503 -0.077114\n0.187587 4.459414 0.043384\n0.287748 0.755648 4.390191\nTl N O\n1 1 2\ndirect\n0.000173 0.956707 0.043246 Tl\n0.499867 0.434292 0.565707 N\n0.450073 0.402179 0.293171 O\n0.549891 0.706819 0.597874 O\n",
"nsites": 4,
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"elements": [
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],
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"density": 6.137612746164771,
"density_atomic": 0.05904667924531374,
"volume": 67.74301368213627,
"volume_molar": 10.198949097510763,
"formula_full": "Tl1 N1 O2",
"formula_reduced": "TlNO2",
"formula_anonymous": "ABC2",
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"spacegroup": 5
},
{
"id": "jvasp-48671",
"created_at": "2022-09-04T14:35:57.225240Z",
"updated_at": "2022-09-04T14:35:57.225253Z",
"structure_string": "Li3 Co2 Si2 O8\n1.0\n5.198678 0.017671 -0.002931\n0.149140 5.197417 0.012974\n0.052951 0.032016 6.316043\nLi Co Si O\n3 2 2 8\ndirect\n0.187530 0.187189 0.248861 Li\n0.685535 0.314402 0.499981 Li\n0.812912 0.812352 0.751164 Li\n0.182351 0.174237 0.758231 Co\n0.825869 0.817548 0.241722 Co\n0.673335 0.326572 0.999995 Si\n0.318946 0.681156 0.500012 Si\n0.799193 0.194407 0.218393 O\n0.805409 0.200651 0.781582 O\n0.364758 0.271022 0.997369 O\n0.287759 0.363172 0.507945 O\n0.729210 0.635032 0.002629 O\n0.637017 0.712082 0.492053 O\n0.186496 0.812044 0.289474 O\n0.188169 0.813657 0.710574 O\n",
"nsites": 15,
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"elements": [
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],
"chemical_system": "Co-Li-O-Si",
"density": 3.141793656753522,
"density_atomic": 0.08790458133178038,
"volume": 170.63957046089712,
"volume_molar": 6.850770083609737,
"formula_full": "Li3 Co2 Si2 O8",
"formula_reduced": "Li3Co2(SiO4)2",
"formula_anonymous": "A2B2C3D8",
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"spacegroup": 5
},
{
"id": "jvasp-52816",
"created_at": "2022-09-04T14:35:58.539410Z",
"updated_at": "2022-09-04T14:35:58.539435Z",
"structure_string": "Nd3 Al3 Si3 N2 O12\n1.0\n8.123489 0.000000 0.000000\n-4.061744 6.832431 -0.072114\n0.000000 -0.037275 4.922671\nNd Al Si N O\n3 3 3 2 12\ndirect\n0.988293 0.408704 0.005463 Nd\n0.579590 0.591297 0.994537 Nd\n0.416388 0.000000 0.000000 Nd\n0.013429 0.777748 0.525401 Al\n0.002408 0.000000 0.000000 Al\n0.235682 0.222253 0.474599 Al\n0.333809 0.662478 0.541512 Si\n0.671332 0.337523 0.458488 Si\n0.738879 0.000000 0.500000 Si\n0.540443 0.839615 0.685207 N\n0.700828 0.160385 0.314794 N\n0.658222 0.335915 0.791930 O\n0.870476 0.764892 0.803736 O\n0.787728 0.878227 0.264688 O\n0.473317 0.316984 0.321702 O\n0.208451 0.066690 0.748582 O\n0.141761 0.933310 0.251418 O\n0.322307 0.664086 0.208070 O\n0.105584 0.235108 0.196264 O\n0.156334 0.683017 0.678298 O\n0.846397 0.547546 0.336319 O\n0.298850 0.452454 0.663682 O\n0.909501 0.121774 0.735313 O\n",
"nsites": 23,
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"elements": [
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],
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"density": 4.97144963192059,
"density_atomic": 0.08418677716434818,
"volume": 273.2020487623578,
"volume_molar": 7.15330953724914,
"formula_full": "Nd3 Al3 Si3 N2 O12",
"formula_reduced": "Nd3Al3Si3(NO6)2",
"formula_anonymous": "A2B3C3D3E12",
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{
"id": "jvasp-90129",
"created_at": "2022-09-04T14:35:59.350653Z",
"updated_at": "2022-09-04T14:35:59.350669Z",
"structure_string": "Sr1 Br2 O6\n1.0\n-0.184507 -0.106525 -4.310797\n-2.323629 -5.151829 -0.066659\n-3.299801 5.715423 0.000000\nSr Br O\n1 2 6\ndirect\n0.000000 0.000000 0.046503 Sr\n0.686574 0.304196 0.720183 Br\n0.313427 0.695804 0.415987 Br\n0.490855 0.343514 0.257931 O\n0.509146 0.656487 0.914418 O\n0.500000 0.000000 0.747353 O\n0.038889 0.633005 0.554197 O\n0.961112 0.366995 0.921193 O\n0.000000 0.000000 0.422236 O\n",
"nsites": 9,
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],
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"density": 4.371908877099585,
"density_atomic": 0.06899750160791474,
"volume": 130.4395056380941,
"volume_molar": 8.728056262415734,
"formula_full": "Sr1 Br2 O6",
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"spacegroup": 5
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{
"id": "jvasp-47772",
"created_at": "2022-09-04T14:36:00.136569Z",
"updated_at": "2022-09-04T14:36:00.136595Z",
"structure_string": "Li3 Fe7 O12\n1.0\n4.935128 0.037722 -0.009336\n2.490937 4.260533 0.009336\n-0.848675 1.466249 9.415586\nLi Fe O\n3 7 12\ndirect\n0.322805 0.838875 0.993043 Li\n0.838877 0.322802 0.506957 Li\n0.921496 0.921493 0.750000 Li\n0.077280 0.077280 0.250000 Fe\n-0.002640 0.516601 0.986471 Fe\n0.253244 0.253242 0.750000 Fe\n0.516602 -0.002642 0.513530 Fe\n0.418245 0.418244 0.250000 Fe\n0.573594 0.573592 0.750000 Fe\n0.755900 0.755897 0.250000 Fe\n0.964002 0.224758 0.863895 O\n0.604697 0.863925 0.862044 O\n0.467142 0.715550 0.358113 O\n0.779970 0.050667 0.365152 O\n0.224760 0.964000 0.636105 O\n0.127215 0.363009 0.357815 O\n0.292478 0.535294 0.865622 O\n0.050668 0.779969 0.134849 O\n0.363010 0.127213 0.142185 O\n0.715552 0.467140 0.141887 O\n0.535295 0.292476 0.634379 O\n0.863927 0.604694 0.637957 O\n",
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"volume": 196.95427852609674,
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"formula_full": "Li3 Fe7 O12",
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},
{
"id": "jvasp-12172",
"created_at": "2022-09-04T14:36:01.276277Z",
"updated_at": "2022-09-04T14:36:01.276313Z",
"structure_string": "Cr1 P2 S7\n1.0\n4.283543 4.665783 0.033660\n-4.283543 4.665783 -0.033660\n-0.831536 0.000000 6.099696\nCr P S\n1 2 7\ndirect\n0.491862 0.491862 0.000000 Cr\n0.044043 0.655267 0.079681 P\n0.655267 0.044043 0.920320 P\n0.140580 0.506147 0.818895 S\n0.531169 0.807102 0.764251 S\n0.317826 0.633412 0.284859 S\n0.992087 0.992087 0.000000 S\n0.633411 0.317826 0.715142 S\n0.807102 0.531169 0.235749 S\n0.506147 0.140581 0.181105 S\n",
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],
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"density_atomic": 0.04097030194263868,
"volume": 244.07923607691998,
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"formula_full": "Cr1 P2 S7",
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{
"id": "jvasp-44319",
"created_at": "2022-09-04T14:36:02.266088Z",
"updated_at": "2022-09-04T14:36:02.266117Z",
"structure_string": "Mn6 O5 F7\n1.0\n4.679394 -0.168743 0.001088\n-0.168743 4.679394 0.001088\n0.001713 0.001713 9.322418\nMn O F\n6 5 7\ndirect\n0.004796 0.995204 0.000000 Mn\n0.977033 0.960478 0.341020 Mn\n0.039521 0.022966 0.658981 Mn\n0.502820 0.491487 0.841966 Mn\n0.508512 0.497179 0.158034 Mn\n0.473340 0.526660 0.500000 Mn\n0.671930 0.682355 0.331319 O\n0.705393 0.688421 0.998704 O\n0.317644 0.328069 0.668682 O\n0.311578 0.294607 0.001296 O\n0.182622 0.817377 0.500000 O\n0.189352 0.788139 0.165715 F\n0.211861 0.810647 0.834286 F\n0.277831 0.282421 0.320272 F\n0.717578 0.722168 0.679728 F\n0.775989 0.224010 0.500000 F\n0.801754 0.169557 0.176653 F\n0.830442 0.198245 0.823347 F\n",
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],
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"formula_full": "Mn6 O5 F7",
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}
]
}