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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=932",
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{
"id": "jvasp-29595",
"created_at": "2022-09-04T14:37:05.760682Z",
"updated_at": "2022-09-04T14:37:05.760707Z",
"structure_string": "Er2 Te6\n1.0\n3.962106 -0.000000 -0.698433\n0.000000 4.584589 0.000000\n0.430546 0.000000 14.029863\nEr Te\n2 6\ndirect\n0.949109 0.250000 0.898216 Er\n0.050892 0.750000 0.101784 Er\n0.687317 0.250000 0.374631 Te\n0.552680 0.250000 0.105358 Te\n0.836245 0.250000 0.672488 Te\n0.447322 0.750000 0.894642 Te\n0.163757 0.750000 0.327512 Te\n0.312685 0.750000 0.625370 Te\n",
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{
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"structure_string": "Rb2 Ca2 H12 N6\n1.0\n3.302325 5.890693 -1.182012\n-3.302325 5.890693 1.182012\n-0.087098 0.000000 6.616539\nRb Ca H N\n2 2 12 6\ndirect\n0.710905 0.710906 0.750000 Rb\n0.289094 0.289094 0.250000 Rb\n-0.000000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.362724 0.652834 0.396257 H\n0.652834 0.362724 0.103743 H\n0.637276 0.347166 0.603743 H\n0.347166 0.637276 0.896257 H\n0.524833 0.206831 0.697161 H\n0.206831 0.524833 0.802839 H\n0.793168 0.475167 0.197161 H\n0.333061 0.098098 0.828247 H\n0.098098 0.333061 0.671753 H\n0.666938 0.901902 0.171753 H\n0.901902 0.666939 0.328247 H\n0.475166 0.793169 0.302839 H\n0.179351 0.672558 0.842697 N\n0.161027 0.161028 0.750000 N\n0.838972 0.838972 0.250000 N\n0.820648 0.327442 0.157303 N\n0.327442 0.820648 0.342697 N\n0.672558 0.179351 0.657303 N\n",
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{
"id": "jvasp-64240",
"created_at": "2022-09-04T14:35:41.636316Z",
"updated_at": "2022-09-04T14:35:41.636340Z",
"structure_string": "Ba4 Hg1 Pb1\n1.0\n-0.000000 5.040771 5.040771\n5.040771 0.000000 5.040771\n5.040771 5.040771 0.000000\nBa Hg Pb\n4 1 1\ndirect\n0.122522 0.625826 0.625826 Ba\n0.625826 0.625826 0.625826 Ba\n0.625826 0.122522 0.625826 Ba\n0.625826 0.625826 0.122522 Ba\n0.250000 0.250000 0.250000 Hg\n0.000000 0.000000 0.000000 Pb\n",
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{
"id": "jvasp-59648",
"created_at": "2022-09-04T14:37:03.151187Z",
"updated_at": "2022-09-04T14:37:03.151217Z",
"structure_string": "Mn12 Si4 Ir4\n1.0\n6.350925 0.000000 0.000000\n0.000000 6.350925 0.000000\n-0.000000 -0.000000 6.350925\nMn Si Ir\n12 4 4\ndirect\n0.549415 0.630461 0.289289 Mn\n0.950586 0.369540 0.789289 Mn\n0.210711 0.450585 0.130461 Mn\n0.289289 0.549415 0.630461 Mn\n0.369540 0.789289 0.950586 Mn\n0.130461 0.210711 0.450585 Mn\n0.450585 0.130461 0.210711 Mn\n0.710712 0.049415 0.869540 Mn\n0.869540 0.710712 0.049415 Mn\n0.049415 0.869540 0.710712 Mn\n0.789289 0.950586 0.369540 Mn\n0.630461 0.289289 0.549415 Mn\n0.942471 0.557530 0.442471 Si\n0.557530 0.442471 0.942471 Si\n0.442471 0.942471 0.557530 Si\n0.057530 0.057530 0.057530 Si\n0.812463 0.312462 0.187538 Ir\n0.312462 0.187538 0.812463 Ir\n0.187538 0.812463 0.312462 Ir\n0.687539 0.687539 0.687539 Ir\n",
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{
"id": "jvasp-112092",
"created_at": "2022-09-04T14:38:41.459658Z",
"updated_at": "2022-09-04T14:38:41.459686Z",
"structure_string": "H8 C10 S2 O4\n1.0\n5.568839 -0.126971 -0.590730\n-2.333265 5.970777 -2.133712\n-0.103980 -0.020082 7.792791\nH C S O\n8 10 2 4\ndirect\n0.885622 0.992136 0.888123 H\n0.885837 0.992034 0.388142 H\n0.334009 0.053402 0.395198 H\n0.333859 0.053376 0.895213 H\n0.794951 0.381953 0.593759 H\n0.794847 0.381855 0.093776 H\n0.617578 0.969851 0.715672 H\n0.617664 0.969731 0.215793 H\n0.823344 0.993480 0.249749 C\n0.823242 0.993570 0.749703 C\n0.222404 0.311578 0.844341 C\n0.222426 0.311555 0.344351 C\n0.650656 0.615095 0.028477 C\n0.635773 0.407469 0.022273 C\n0.635836 0.407530 0.522267 C\n0.388204 0.230755 0.915302 C\n0.388291 0.230777 0.415295 C\n0.650637 0.615145 0.528495 C\n0.357842 0.602607 0.404375 S\n0.357909 0.602622 0.904351 S\n0.968931 0.201820 0.239433 O\n0.864779 0.815124 0.610331 O\n0.864828 0.815055 0.110309 O\n0.968919 0.201890 0.739397 O\n",
"nsites": 24,
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"elements": [
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],
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"density_atomic": 0.09369776444688133,
"volume": 256.14271740288916,
"volume_molar": 6.42719791187125,
"formula_full": "H8 C10 S2 O4",
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"spacegroup": 1
},
{
"id": "jvasp-111044",
"created_at": "2022-09-04T14:38:36.421840Z",
"updated_at": "2022-09-04T14:38:36.421861Z",
"structure_string": "In3 Ga1 Te4\n1.0\n6.753546 0.050272 -1.764459\n-4.018011 5.428489 -1.764459\n-0.025101 -0.050272 6.980191\nIn Ga Te\n3 1 4\ndirect\n0.500000 -0.000000 0.500000 In\n0.000000 0.500000 0.500000 In\n0.500000 0.500000 -0.000000 In\n0.000000 0.000000 0.000000 Ga\n0.411235 0.411235 0.356361 Te\n0.054874 0.054874 0.643639 Te\n0.588766 0.945126 -0.000000 Te\n0.945127 0.588765 -0.000000 Te\n",
"nsites": 8,
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],
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"formula_full": "In3 Ga1 Te4",
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"spacegroup": 121
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{
"id": "jvasp-43200",
"created_at": "2022-09-04T14:36:22.453581Z",
"updated_at": "2022-09-04T14:36:22.453600Z",
"structure_string": "Mn2 Ni2 P4 O16\n1.0\n0.000000 4.679634 -0.018743\n5.649534 0.000000 0.000000\n0.000000 0.018531 -9.687163\nMn Ni P O\n2 2 4 16\ndirect\n0.052926 0.749999 0.272833 Mn\n0.947073 0.250000 0.727167 Mn\n0.561028 0.250000 0.231488 Ni\n0.438971 0.749999 0.768512 Ni\n0.621402 0.749999 0.089863 P\n0.102475 0.250000 0.414209 P\n0.897524 0.749999 0.585791 P\n0.378597 0.250000 0.910137 P\n0.218132 0.041924 0.831703 O\n0.218132 0.458075 0.831703 O\n0.746046 0.534652 0.662054 O\n0.746046 0.965347 0.662054 O\n0.217873 0.749999 0.600226 O\n0.182530 0.250000 0.568958 O\n0.817468 0.749999 0.431041 O\n0.781867 0.541924 0.168296 O\n0.253953 0.465347 0.337945 O\n0.253953 0.034652 0.337945 O\n0.700751 0.250000 0.879336 O\n0.781867 0.958075 0.168296 O\n0.299247 0.749999 0.120663 O\n0.327067 0.250000 0.063422 O\n0.782126 0.250000 0.399773 O\n0.672932 0.749999 0.936578 O\n",
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],
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"formula_full": "Mn2 Ni2 P4 O16",
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{
"id": "jvasp-111857",
"created_at": "2022-09-04T14:38:42.351178Z",
"updated_at": "2022-09-04T14:38:42.351208Z",
"structure_string": "Mg2 Cr3 Co1 S8\n1.0\n6.173723 -0.001164 3.551589\n2.053188 5.822326 3.551503\n-0.002052 -0.001446 7.122408\nMg Cr Co S\n2 3 1 8\ndirect\n0.874846 0.874849 0.874842 Mg\n0.125162 0.125154 0.125164 Mg\n0.499995 0.500005 0.999998 Cr\n0.999997 0.499996 0.500007 Cr\n0.500008 0.999999 0.499997 Cr\n0.500000 0.500000 0.499994 Co\n0.737287 0.737289 0.737287 S\n0.269652 0.269648 0.707331 S\n0.269649 0.707326 0.269655 S\n0.707329 0.269658 0.269640 S\n0.730336 0.292675 0.730347 S\n0.292674 0.730348 0.730342 S\n0.262717 0.262708 0.262721 S\n0.730353 0.730343 0.292674 S\n",
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{
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"created_at": "2022-09-04T14:36:38.900404Z",
"updated_at": "2022-09-04T14:36:38.900423Z",
"structure_string": "Si2 Cu4 Se6\n1.0\n6.680735 0.033616 1.027574\n1.621920 5.639820 3.317338\n0.031786 0.010236 6.816364\nSi Cu Se\n2 4 6\ndirect\n0.524099 0.885418 0.169916 Si\n0.024100 0.055334 0.830083 Si\n0.502450 0.232623 0.510011 Cu\n0.002450 0.742634 0.489987 Cu\n0.500394 0.584932 0.826700 Cu\n0.000394 0.411633 0.173298 Cu\n0.122921 0.698100 0.829999 Se\n0.622920 0.528100 0.169999 Se\n0.627014 0.866888 0.484037 Se\n0.127014 0.350924 0.515962 Se\n0.144621 0.031003 0.157215 Se\n0.644621 0.188219 0.842784 Se\n",
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{
"id": "jvasp-64313",
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"structure_string": "Ba4 V1 Br1\n1.0\n0.000000 5.039870 5.039870\n5.039870 0.000000 5.039870\n5.039870 5.039870 0.000000\nBa V Br\n4 1 1\ndirect\n0.123626 0.625458 0.625458 Ba\n0.625458 0.625458 0.625458 Ba\n0.625458 0.123626 0.625458 Ba\n0.625458 0.625458 0.123626 Ba\n0.000000 0.000000 0.000000 V\n0.250000 0.250000 0.250000 Br\n",
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{
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"structure_string": "H24 O12\n1.0\n3.942225 0.000408 -0.002416\n-0.000597 7.951163 0.000006\n0.004926 0.000008 8.167990\nH O\n24 12\ndirect\n0.267899 0.072383 0.848807 H\n0.982043 0.572387 0.151235 H\n0.290837 0.779214 0.713954 H\n0.144334 0.954716 0.096555 H\n0.959081 0.279251 0.286077 H\n0.692925 0.281236 0.775642 H\n0.482028 0.927645 0.348819 H\n0.246066 0.340188 0.417094 H\n0.556998 0.781225 0.224421 H\n0.398522 0.409371 0.034206 H\n0.767886 0.427642 0.651224 H\n0.057007 0.718790 0.275651 H\n0.851361 0.909361 0.965825 H\n0.003879 0.840171 0.582934 H\n0.746047 0.159845 0.082920 H\n0.351382 0.590647 0.534205 H\n0.105533 0.454734 0.903485 H\n0.790826 0.720766 0.786094 H\n0.898577 0.090659 0.465824 H\n0.459081 0.220799 0.213937 H\n0.192928 0.218801 0.724412 H\n0.503841 0.659834 0.917112 H\n0.644379 0.545292 0.403484 H\n0.605602 0.045309 0.596554 H\n0.370547 0.134320 0.754202 O\n0.111589 0.739851 0.636491 O\n0.501069 0.497829 0.493388 O\n0.638321 0.260163 0.136473 O\n0.870525 0.365719 0.745846 O\n0.748898 0.997847 0.506647 O\n0.879396 0.634312 0.245852 O\n0.001039 0.002176 0.006643 O\n0.248837 0.502193 0.993395 O\n0.611585 0.760143 0.863553 O\n0.138332 0.239877 0.363535 O\n0.379385 0.865710 0.254209 O\n",
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{
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"created_at": "2022-09-04T14:38:20.408040Z",
"updated_at": "2022-09-04T14:38:20.408060Z",
"structure_string": "Li4 Al4 Fe4 O16\n1.0\n5.678600 0.000000 -0.000000\n-0.000000 5.678600 -0.000000\n-0.000000 -0.000000 7.939215\nLi Al Fe O\n4 4 4 16\ndirect\n0.000000 0.234182 0.000000 Li\n0.000000 0.765818 0.500000 Li\n0.234182 0.000000 0.250000 Li\n0.765818 0.000000 0.750000 Li\n0.253887 0.253887 0.625000 Al\n0.253887 0.746113 0.875001 Al\n0.746113 0.253887 0.375000 Al\n0.746113 0.746113 0.125000 Al\n0.760945 0.500000 0.750000 Fe\n0.500000 0.760945 0.500000 Fe\n0.500000 0.239055 0.000000 Fe\n0.239055 0.500000 0.250000 Fe\n0.731941 0.986194 0.490224 O\n0.731941 0.013806 0.009776 O\n0.733878 0.489403 0.988308 O\n0.733878 0.510597 0.511693 O\n0.510597 0.733878 0.738308 O\n0.510597 0.266122 0.761693 O\n0.489403 0.733878 0.261693 O\n0.013806 0.731941 0.240224 O\n0.266122 0.510597 0.488308 O\n0.266122 0.489403 0.011693 O\n0.268059 0.986194 0.509776 O\n0.268059 0.013806 0.990225 O\n0.986194 0.268059 0.740224 O\n0.013806 0.268059 0.259776 O\n0.489403 0.266122 0.238307 O\n0.986194 0.731941 0.759777 O\n",
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}
]
}