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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=385",
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{
"id": "jvasp-30677",
"created_at": "2022-09-04T14:38:32.015440Z",
"updated_at": "2022-09-04T14:38:32.015477Z",
"structure_string": "Mg2 Sn4 O10\n1.0\n3.192625 -0.000445 0.007821\n0.001072 5.154215 0.178324\n-0.030370 0.442327 12.553049\nMg Sn O\n2 4 10\ndirect\n0.749372 0.860538 0.265387 Mg\n0.249408 0.140348 0.734393 Mg\n0.249505 0.404696 0.108520 Sn\n0.749449 0.596193 0.891263 Sn\n0.749291 0.618384 0.600569 Sn\n0.249364 0.382483 0.399211 Sn\n0.749377 0.383460 0.747885 O\n0.249414 0.617428 0.251898 O\n0.749442 0.654305 0.057468 O\n0.249522 0.346585 0.942316 O\n0.749310 0.642178 0.431136 O\n0.249386 0.358683 0.568646 O\n0.749422 0.146437 0.371755 O\n0.249219 0.854427 0.628029 O\n0.249396 0.836111 0.844871 O\n0.749552 0.164777 0.154910 O\n",
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{
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"updated_at": "2022-09-04T14:38:32.350245Z",
"structure_string": "Na4 Cr2 C2 S2 O14\n1.0\n0.000000 5.076371 0.036773\n7.240806 0.000000 0.000000\n0.000000 -0.171189 -8.657943\nNa Cr C S O\n4 2 2 2 14\ndirect\n0.758795 -0.002054 0.218458 Na\n0.758795 0.502054 0.218458 Na\n0.241205 0.497947 0.781542 Na\n0.241205 0.002054 0.781542 Na\n0.215417 0.250000 0.365641 Cr\n0.784582 0.750000 0.634359 Cr\n0.278559 0.250000 0.085455 C\n0.721441 0.750000 0.914545 C\n0.280387 0.750000 0.396838 S\n0.719612 0.250000 0.603162 S\n0.525681 0.750000 0.810652 O\n0.798591 0.082226 0.687580 O\n0.798591 0.417774 0.687580 O\n0.162179 0.750000 0.554296 O\n0.422863 0.250000 0.577152 O\n0.577136 0.750000 0.422848 O\n0.046374 0.250000 0.149335 O\n0.201409 0.582226 0.312421 O\n0.201409 0.917775 0.312421 O\n0.474319 0.250000 0.189348 O\n0.953625 0.750000 0.850665 O\n0.687818 0.750000 0.057533 O\n0.837820 0.250000 0.445704 O\n0.312181 0.250000 0.942467 O\n",
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"density_atomic": 0.07542554589760131,
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"formula_full": "Na4 Cr2 C2 S2 O14",
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"formula_anonymous": "ABCD2E7",
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{
"id": "jvasp-34761",
"created_at": "2022-09-04T14:38:32.503473Z",
"updated_at": "2022-09-04T14:38:32.503506Z",
"structure_string": "K2 Cl2 O6\n1.0\n0.000000 4.630269 0.079100\n5.582849 0.000000 0.000000\n0.000000 -2.417216 -6.572535\nK Cl O\n2 2 6\ndirect\n0.643243 0.250000 0.291943 K\n0.356756 0.750000 0.708056 K\n0.879280 0.250000 0.828469 Cl\n0.120719 0.750000 0.171530 Cl\n0.143146 0.965972 0.304149 O\n0.856853 0.465972 0.695850 O\n0.856853 0.034028 0.695850 O\n0.143146 0.534028 0.304149 O\n0.407302 0.750000 0.118141 O\n0.592697 0.250000 0.881858 O\n",
"nsites": 10,
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"elements": [
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],
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"density": 2.4106425366363244,
"density_atomic": 0.05923006084351322,
"volume": 168.83318803977193,
"volume_molar": 10.16737223335055,
"formula_full": "K2 Cl2 O6",
"formula_reduced": "KClO3",
"formula_anonymous": "ABC3",
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"spacegroup": 11
},
{
"id": "jvasp-59148",
"created_at": "2022-09-04T14:38:32.852624Z",
"updated_at": "2022-09-04T14:38:32.852636Z",
"structure_string": "In10 S10 Cl2\n1.0\n0.000000 9.032580 -0.029589\n3.973750 0.000000 0.000000\n0.000000 -1.006989 -15.080378\nIn S Cl\n10 10 2\ndirect\n0.658682 0.250000 0.446122 In\n0.341318 0.750000 0.553878 In\n0.134731 0.250000 0.063446 In\n0.865269 0.750000 0.936554 In\n0.956348 0.750000 0.354224 In\n0.043652 0.250000 0.645776 In\n0.237836 0.750000 0.290606 In\n0.762164 0.250000 0.709394 In\n0.620073 0.750000 0.155437 In\n0.379927 0.250000 0.844563 In\n0.208239 0.750000 0.704342 S\n0.791761 0.250000 0.295658 S\n0.034481 0.250000 0.898324 S\n0.965519 0.750000 0.101676 S\n0.678066 0.750000 0.802197 S\n0.467759 0.750000 0.399401 S\n0.165180 0.250000 0.498126 S\n0.834820 0.750000 0.501875 S\n0.532240 0.250000 0.600599 S\n0.321934 0.250000 0.197803 S\n0.329814 0.750000 0.004017 Cl\n0.670186 0.250000 0.995983 Cl\n",
"nsites": 22,
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"elements": [
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"density": 4.722541558733324,
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"volume": 541.401647492584,
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{
"id": "jvasp-57817",
"created_at": "2022-09-04T14:38:32.915557Z",
"updated_at": "2022-09-04T14:38:32.915579Z",
"structure_string": "Ag2 Bi4 S6 Cl2\n1.0\n0.000000 7.816090 0.019791\n4.026303 0.000000 0.000000\n0.000000 -2.449080 -10.570288\nAg Bi S Cl\n2 4 6 2\ndirect\n0.941323 0.250000 0.591720 Ag\n0.058677 0.749999 0.408280 Ag\n0.462156 0.250000 0.656699 Bi\n0.537844 0.749999 0.343301 Bi\n0.187169 0.749999 0.925231 Bi\n0.812831 0.250000 0.074770 Bi\n0.956583 0.250000 0.851334 S\n0.683721 0.749999 0.587375 S\n0.316279 0.250000 0.412626 S\n0.043418 0.749999 0.148667 S\n0.199273 0.749999 0.661033 S\n0.800727 0.250000 0.338967 S\n0.406409 0.250000 0.101377 Cl\n0.593592 0.749999 0.898623 Cl\n",
"nsites": 14,
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"elements": [
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"S",
"Cl"
],
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"density": 6.567978069906408,
"density_atomic": 0.042111437999301574,
"volume": 332.451245199278,
"volume_molar": 14.300487103052332,
"formula_full": "Ag2 Bi4 S6 Cl2",
"formula_reduced": "AgBi2S3Cl",
"formula_anonymous": "ABC2D3",
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{
"id": "jvasp-31310",
"created_at": "2022-09-04T14:38:33.132750Z",
"updated_at": "2022-09-04T14:38:33.132767Z",
"structure_string": "Er2 H2 O4\n1.0\n0.000000 4.282924 -0.018476\n3.590899 0.000000 0.000000\n0.000000 -1.971822 -5.568466\nEr H O\n2 2 4\ndirect\n0.833353 0.750000 0.189279 Er\n0.166647 0.250000 0.810723 Er\n0.486946 0.750000 0.580525 H\n0.513054 0.250000 0.419477 H\n0.266936 0.750000 0.052614 O\n0.733065 0.250000 0.947387 O\n0.251952 0.750000 0.561987 O\n0.748049 0.250000 0.438015 O\n",
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"density": 7.7543199367058735,
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"volume": 85.77130881520706,
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"formula_full": "Er2 H2 O4",
"formula_reduced": "ErHO2",
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"spacegroup": 11
},
{
"id": "jvasp-56724",
"created_at": "2022-09-04T14:38:33.363096Z",
"updated_at": "2022-09-04T14:38:33.363109Z",
"structure_string": "Ca10 W2 N8 O4\n1.0\n0.000000 6.106241 0.020448\n6.745988 0.000000 0.000000\n0.000000 -0.149402 -8.459461\nCa W N O\n10 2 8 4\ndirect\n0.267456 0.490560 0.665018 Ca\n0.497555 0.750000 0.982995 Ca\n0.732545 0.509440 0.334982 Ca\n0.502445 0.250000 0.017005 Ca\n0.000000 0.500000 0.000000 Ca\n0.806179 0.750000 0.671145 Ca\n0.000000 0.000000 0.000000 Ca\n0.267456 0.009440 0.665018 Ca\n0.732545 0.990560 0.334982 Ca\n0.193821 0.250000 0.328854 Ca\n0.718003 0.250000 0.677121 W\n0.281997 0.750000 0.322879 W\n0.335177 0.975322 0.190373 N\n0.028808 0.750000 0.446893 N\n0.664823 0.475322 0.809627 N\n0.971192 0.250000 0.553107 N\n0.335177 0.524678 0.190373 N\n0.664823 0.024678 0.809627 N\n0.494118 0.250000 0.523170 N\n0.505882 0.750000 0.476830 N\n0.807958 0.750000 0.128723 O\n0.151858 0.750000 0.829241 O\n0.192042 0.250000 0.871277 O\n0.848142 0.250000 0.170759 O\n",
"nsites": 24,
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"elements": [
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],
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"density_atomic": 0.06887708034244534,
"volume": 348.4468255721062,
"volume_molar": 8.743315962376629,
"formula_full": "Ca10 W2 N8 O4",
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{
"id": "jvasp-116799",
"created_at": "2022-09-04T14:38:33.705150Z",
"updated_at": "2022-09-04T14:38:33.705179Z",
"structure_string": "Co4 Te2 Cl4 O6\n1.0\n6.680461 0.000000 0.000000\n-0.000000 4.902350 1.281448\n-0.000000 0.046885 8.008746\nCo Te Cl O\n4 2 4 6\ndirect\n0.250000 0.747626 0.803016 Co\n0.750000 0.252373 0.196984 Co\n0.500000 0.000000 -0.000000 Co\n0.000000 0.000000 0.000000 Co\n0.750000 0.602366 0.735350 Te\n0.250000 0.397632 0.264651 Te\n0.250000 0.840123 0.499568 Cl\n0.250000 0.266627 0.793854 Cl\n0.750000 0.733372 0.206147 Cl\n0.750000 0.159876 0.500433 Cl\n0.038574 0.235445 0.163220 O\n0.538574 0.764553 0.836781 O\n0.961426 0.764553 0.836781 O\n0.750000 0.256739 0.922147 O\n0.250000 0.743260 0.077854 O\n0.461426 0.235445 0.163220 O\n",
"nsites": 16,
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"elements": [
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"volume": 261.8847282963982,
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"formula_full": "Co4 Te2 Cl4 O6",
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{
"id": "jvasp-45139",
"created_at": "2022-09-04T14:38:33.770286Z",
"updated_at": "2022-09-04T14:38:33.770314Z",
"structure_string": "Na6 Mn2 As2 C2 O14\n1.0\n0.000000 5.174364 -0.030519\n6.893665 0.000000 0.000000\n0.000000 0.009540 -9.214777\nNa Mn As C O\n6 2 2 2 14\ndirect\n0.239741 0.749999 0.081229 Na\n0.755060 0.001701 0.250237 Na\n0.755060 0.498299 0.250237 Na\n0.244939 0.501701 0.749763 Na\n0.244939 -0.001701 0.749763 Na\n0.760258 0.250000 0.918771 Na\n0.222968 0.250000 0.354005 Mn\n0.777031 0.749999 0.645995 Mn\n0.694395 0.250000 0.588012 As\n0.305604 0.749999 0.411989 As\n0.264531 0.250000 0.056380 C\n0.735468 0.749999 0.943621 C\n0.529171 0.749999 0.863947 O\n0.777686 0.053035 0.693253 O\n0.777686 0.446965 0.693253 O\n0.361382 0.250000 0.567635 O\n0.173939 0.749999 0.583446 O\n0.826061 0.250000 0.416554 O\n0.716399 0.749999 0.084053 O\n0.222313 0.553034 0.306747 O\n0.222313 0.946965 0.306747 O\n0.470828 0.250000 0.136054 O\n0.038405 0.250000 0.118752 O\n0.961594 0.749999 0.881248 O\n0.638617 0.749999 0.432366 O\n0.283600 0.250000 0.915947 O\n",
"nsites": 26,
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"formula_full": "Na6 Mn2 As2 C2 O14",
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{
"id": "jvasp-21816",
"created_at": "2022-09-04T14:38:33.826351Z",
"updated_at": "2022-09-04T14:38:33.826378Z",
"structure_string": "Nb4 Pt12\n1.0\n0.000000 4.942377 0.003751\n5.615522 0.000000 0.000000\n0.000000 -1.738406 -9.261456\nNb Pt\n4 12\ndirect\n0.379160 0.750000 0.622468 Nb\n0.620840 0.250000 0.377533 Nb\n0.212819 0.750000 0.127555 Nb\n0.787181 0.250000 0.872446 Nb\n0.792229 0.750000 0.871726 Pt\n0.207771 0.250000 0.128275 Pt\n0.608431 0.750000 0.375694 Pt\n0.391569 0.250000 0.624307 Pt\n0.881163 0.999232 0.626020 Pt\n0.118837 0.499232 0.373980 Pt\n0.118837 0.000768 0.373980 Pt\n0.881163 0.500768 0.626020 Pt\n0.291741 0.998629 0.877385 Pt\n0.708259 0.498629 0.122616 Pt\n0.708259 0.001370 0.122616 Pt\n0.291741 0.501370 0.877385 Pt\n",
"nsites": 16,
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"density": 17.526565626524878,
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"volume": 257.0060803305136,
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"spacegroup": 11
},
{
"id": "jvasp-44407",
"created_at": "2022-09-04T14:38:33.846385Z",
"updated_at": "2022-09-04T14:38:33.846411Z",
"structure_string": "Na4 V2 C2 S2 O14\n1.0\n0.000000 5.225553 -0.028824\n6.656603 0.000000 0.000000\n0.000000 -0.101379 -8.959807\nNa V C S O\n4 2 2 2 14\ndirect\n0.771560 0.000571 0.216938 Na\n0.771560 0.499429 0.216938 Na\n0.228439 0.500571 0.783061 Na\n0.228439 0.999429 0.783061 Na\n0.220428 0.250000 0.355998 V\n0.779571 0.750000 0.644002 V\n0.290349 0.250000 0.078967 C\n0.709650 0.750000 0.921032 C\n0.283601 0.750000 0.415690 S\n0.716399 0.250000 0.584310 S\n0.521895 0.750000 0.822260 O\n0.804827 0.070460 0.667161 O\n0.804827 0.429540 0.667161 O\n0.173439 0.750000 0.568898 O\n0.430104 0.250000 0.571465 O\n0.569896 0.750000 0.428535 O\n0.062399 0.250000 0.140238 O\n0.195172 0.570459 0.332839 O\n0.195172 0.929540 0.332839 O\n0.478104 0.250000 0.177740 O\n0.937600 0.750000 0.859762 O\n0.673335 0.750000 0.059832 O\n0.826560 0.250000 0.431102 O\n0.326664 0.250000 0.940168 O\n",
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"volume": 311.6812469028533,
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"formula_full": "Na4 V2 C2 S2 O14",
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{
"id": "jvasp-19360",
"created_at": "2022-09-04T14:38:33.881987Z",
"updated_at": "2022-09-04T14:38:33.882014Z",
"structure_string": "Ca4 Ti2 Sb2 O12\n1.0\n0.000000 5.486742 -0.002164\n7.922747 0.000000 0.000000\n0.000000 -0.005833 -5.690123\nCa Ti Sb O\n4 2 2 12\ndirect\n0.484322 0.750000 0.436662 Ca\n0.515678 0.250000 0.563337 Ca\n0.012297 0.750000 0.950884 Ca\n0.987703 0.250000 0.049115 Ca\n0.500000 0.500000 -0.000000 Ti\n0.500000 0.000000 -0.000000 Ti\n0.000000 0.500000 0.500000 Sb\n0.000000 0.000000 0.500000 Sb\n0.313167 0.552384 0.708541 O\n0.594387 0.750000 0.032312 O\n0.686833 0.052384 0.291458 O\n0.099937 0.250000 0.466210 O\n0.206657 0.947493 0.191613 O\n0.793343 0.052508 0.808386 O\n0.206657 0.552508 0.191613 O\n0.313167 0.947616 0.708541 O\n0.900063 0.750000 0.533789 O\n0.686833 0.447616 0.291458 O\n0.793343 0.447492 0.808386 O\n0.405613 0.250000 0.967687 O\n",
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],
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"formula_full": "Ca4 Ti2 Sb2 O12",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 11
}
]
}