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{
"id": "jvasp-49667",
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"structure_string": "Mg4 Ti2 Sb2 O12\n1.0\n0.000000 5.240597 -0.004917\n7.744675 0.000000 0.000000\n0.000000 -0.128570 -5.392259\nMg Ti Sb O\n4 2 2 12\ndirect\n0.491179 0.750000 0.440024 Mg\n0.508821 0.250000 0.559976 Mg\n0.993788 0.750000 0.962771 Mg\n0.006212 0.250000 0.037230 Mg\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\n0.339845 0.570407 0.683484 O\n0.628650 0.750000 0.075342 O\n0.660156 0.070407 0.316517 O\n0.134238 0.250000 0.418033 O\n0.185017 0.928696 0.172060 O\n0.814984 0.071303 0.827941 O\n0.185017 0.571303 0.172060 O\n0.339845 0.929592 0.683484 O\n0.865762 0.750000 0.581967 O\n0.660156 0.429592 0.316517 O\n0.814984 0.428697 0.827941 O\n0.371350 0.250000 0.924659 O\n",
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{
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"structure_string": "Ca2 Al4 Si2 O12\n1.0\n0.015720 0.000000 5.307478\n-4.667894 4.341420 1.325676\n-4.667894 -4.341420 1.325676\nCa Al Si O\n2 4 2 12\ndirect\n0.240079 0.321256 0.693568 Ca\n0.740079 0.693568 0.321256 Ca\n0.210548 0.809151 0.612460 Al\n0.710549 0.612460 0.809151 Al\n0.261080 0.910861 0.088846 Al\n0.761080 0.088846 0.910861 Al\n0.281760 0.382543 0.188752 Si\n0.781760 0.188752 0.382543 Si\n0.623640 0.827491 0.975534 O\n0.012987 0.333390 0.358366 O\n0.700098 0.110052 0.626549 O\n0.874605 0.020083 0.200589 O\n0.512987 0.358366 0.333390 O\n0.322952 0.914228 0.358217 O\n0.374605 0.200589 0.020083 O\n0.972263 0.661034 0.607021 O\n0.822952 0.358217 0.914228 O\n0.123639 0.975534 0.827491 O\n0.200098 0.626549 0.110052 O\n0.472263 0.607021 0.661034 O\n",
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{
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"updated_at": "2022-09-04T14:37:13.384982Z",
"structure_string": "Pb4 S4 O12\n1.0\n5.528873 0.000000 0.000000\n-0.000000 6.832260 0.000000\n0.000000 0.000000 7.908667\nPb S O\n4 4 12\ndirect\n0.250000 0.366259 0.685754 Pb\n0.750000 0.633741 0.314247 Pb\n0.750000 0.866259 0.814247 Pb\n0.250000 0.133741 0.185753 Pb\n0.750000 0.351977 0.966391 S\n0.250000 0.648023 0.033609 S\n0.250000 0.851977 0.533610 S\n0.750000 0.148023 0.466391 S\n0.250000 0.984375 0.689519 O\n0.750000 0.015625 0.310482 O\n0.529991 0.284879 0.438785 O\n0.029992 0.715121 0.561215 O\n0.470008 0.784879 0.061215 O\n0.529991 0.215121 0.938786 O\n0.470008 0.715121 0.561215 O\n0.970008 0.284879 0.438785 O\n0.250000 0.515625 0.189519 O\n0.029992 0.784879 0.061215 O\n0.970008 0.215121 0.938786 O\n0.750000 0.484375 0.810482 O\n",
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"formula_full": "Pb4 S4 O12",
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{
"id": "jvasp-42709",
"created_at": "2022-09-04T14:37:13.341327Z",
"updated_at": "2022-09-04T14:37:13.341378Z",
"structure_string": "V4 O4 F12\n1.0\n5.612674 -0.014090 -0.003143\n0.330178 5.618024 -0.034398\n0.005012 0.049856 8.071938\nV O F\n4 4 12\ndirect\n0.077611 0.045667 -0.000017 V\n0.567739 0.488151 0.000019 V\n0.457031 0.939622 0.499988 V\n0.958213 0.439833 0.500014 V\n0.278554 0.242604 -0.000061 O\n0.758026 0.248462 0.500073 O\n0.252171 0.753236 0.499916 O\n0.781311 0.278150 0.000112 O\n0.482558 0.502045 0.789727 F\n0.991613 0.513868 0.710906 F\n-0.008047 0.012963 0.791169 F\n0.731111 0.734327 0.500131 F\n0.236750 0.239595 0.499875 F\n0.495068 0.009947 0.288904 F\n-0.008745 0.513983 0.289102 F\n0.482211 0.502091 0.210249 F\n0.494670 0.010002 0.711089 F\n0.247978 0.765996 -0.000115 F\n0.992292 0.012863 0.208863 F\n0.731881 0.746599 0.000058 F\n",
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{
"id": "jvasp-21737",
"created_at": "2022-09-04T14:37:33.190901Z",
"updated_at": "2022-09-04T14:37:33.190914Z",
"structure_string": "Na2 Nd4 Ir2 O12\n1.0\n0.000000 5.520517 0.000769\n5.988223 0.000000 0.000000\n0.000000 -5.383135 -7.955604\nNa Nd Ir O\n2 4 2 12\ndirect\n-0.000001 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n0.775204 0.076055 0.252592 Nd\n0.224796 0.576055 0.247408 Nd\n0.775203 0.423944 0.752591 Nd\n0.224795 0.923944 0.747408 Nd\n0.500000 0.500000 -0.000000 Ir\n0.500000 0.000000 0.500000 Ir\n0.149670 0.824626 0.447542 O\n0.850330 0.324627 0.052458 O\n0.615217 0.453730 0.234497 O\n0.384783 0.953730 0.265503 O\n0.384782 0.546269 0.765503 O\n0.270812 0.215672 0.934423 O\n0.729187 0.784327 0.065577 O\n0.270813 0.284327 0.434423 O\n0.149669 0.675373 0.947542 O\n0.729186 0.715672 0.565576 O\n0.615216 0.046270 0.734496 O\n0.850329 0.175373 0.552457 O\n",
"nsites": 20,
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"formula_full": "Na2 Nd4 Ir2 O12",
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{
"id": "jvasp-13404",
"created_at": "2022-09-04T14:37:17.962669Z",
"updated_at": "2022-09-04T14:37:17.962682Z",
"structure_string": "Rb4 Ge4 Br12\n1.0\n7.477955 0.000000 0.000000\n0.000000 8.107486 0.000000\n0.000000 0.000000 11.137467\nRb Ge Br\n4 4 12\ndirect\n0.966457 0.416316 0.749615 Rb\n0.466458 0.083684 0.249615 Rb\n0.533542 0.916316 0.749615 Rb\n0.033542 0.583685 0.249615 Rb\n0.484805 0.472262 0.516586 Ge\n0.515195 0.527739 0.016586 Ge\n0.015195 0.972262 0.516586 Ge\n0.984804 0.027739 0.016586 Ge\n0.578358 0.502374 0.245567 Br\n0.921641 0.002373 0.245567 Br\n0.692150 0.186928 0.964840 Br\n0.421642 0.497627 0.745567 Br\n0.807849 0.686928 0.964840 Br\n0.178037 0.296277 0.038592 Br\n0.307849 0.813073 0.464840 Br\n0.821963 0.703723 0.538592 Br\n0.078358 -0.002373 0.745567 Br\n0.321963 0.796278 0.038592 Br\n0.192151 0.313073 0.464840 Br\n0.678036 0.203723 0.538592 Br\n",
"nsites": 20,
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{
"id": "jvasp-57176",
"created_at": "2022-09-04T14:37:33.357447Z",
"updated_at": "2022-09-04T14:37:33.357468Z",
"structure_string": "Ag4 Te4 O12\n1.0\n0.000000 5.487749 0.007000\n7.499367 0.000000 0.000000\n0.000000 -1.355409 -6.844386\nAg Te O\n4 4 12\ndirect\n0.000000 0.500000 0.000000 Ag\n0.000000 0.000000 0.000000 Ag\n0.429987 0.750000 0.174410 Ag\n0.570013 0.250000 0.825591 Ag\n0.481158 0.250000 0.316834 Te\n0.518842 0.750000 0.683167 Te\n-0.000000 0.000000 0.500000 Te\n-0.000000 0.500000 0.500000 Te\n0.236404 0.516988 0.328015 O\n0.236404 0.983013 0.328015 O\n0.741047 0.065271 0.271414 O\n0.258953 0.565271 0.728587 O\n0.890362 0.750000 0.438842 O\n0.258953 0.934729 0.728587 O\n0.109638 0.250000 0.561159 O\n0.331616 0.250000 0.051783 O\n0.741047 0.434729 0.271414 O\n0.763596 0.483013 0.671986 O\n0.763596 0.016987 0.671986 O\n0.668384 0.750000 0.948218 O\n",
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"formula_full": "Ag4 Te4 O12",
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{
"id": "jvasp-43446",
"created_at": "2022-09-04T14:37:08.683736Z",
"updated_at": "2022-09-04T14:37:08.683759Z",
"structure_string": "Ag4 Ru4 O12\n1.0\n-5.055438 5.055438 -0.000000\n5.055438 0.000000 5.055438\n5.055438 5.055438 -0.000000\nAg Ru O\n4 4 12\ndirect\n0.500000 0.500000 0.000000 Ag\n0.000000 0.000000 0.000000 Ag\n0.000000 0.500000 0.000000 Ag\n0.000000 0.000000 0.500000 Ag\n0.500000 0.000000 0.000000 Ru\n0.500000 0.000000 0.500000 Ru\n0.500000 0.500000 0.500000 Ru\n0.000000 0.500000 0.500000 Ru\n0.427173 0.250000 0.822828 O\n0.177173 0.354345 0.572828 O\n0.177173 0.750000 0.177173 O\n0.572828 0.750000 0.572828 O\n0.427173 0.250000 0.427173 O\n0.572828 0.145655 0.177173 O\n0.822828 0.250000 0.822828 O\n0.572828 0.750000 0.177173 O\n0.427173 0.854346 0.822828 O\n0.822828 0.250000 0.427173 O\n0.822828 0.645655 0.427173 O\n0.177173 0.750000 0.572828 O\n",
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"volume": 258.4082419184965,
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"formula_full": "Ag4 Ru4 O12",
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"spacegroup": 227
},
{
"id": "jvasp-49172",
"created_at": "2022-09-04T14:37:08.679354Z",
"updated_at": "2022-09-04T14:37:08.679369Z",
"structure_string": "Ho6 Sc2 O12\n1.0\n6.551328 0.010711 -0.250268\n-0.260420 6.546159 -0.250268\n0.010276 0.010711 6.556099\nHo Sc O\n6 2 12\ndirect\n0.438580 0.746806 0.931055 Ho\n0.746807 0.931055 0.438579 Ho\n0.561421 0.253193 0.068945 Ho\n0.068945 0.561420 0.253193 Ho\n0.253194 0.068945 0.561420 Ho\n0.931056 0.438579 0.746806 Ho\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Sc\n0.693305 0.929401 0.085975 O\n0.070599 0.914025 0.306695 O\n0.407008 0.537123 0.192962 O\n0.085976 0.693304 0.929401 O\n0.929402 0.085975 0.693304 O\n0.807038 0.592993 0.462877 O\n0.462878 0.807038 0.592992 O\n0.592993 0.462877 0.807038 O\n0.192962 0.407007 0.537123 O\n0.537123 0.192962 0.407007 O\n0.306696 0.070599 0.914025 O\n0.914025 0.306695 0.070598 O\n",
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},
{
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"created_at": "2022-09-04T14:37:08.588021Z",
"updated_at": "2022-09-04T14:37:08.588038Z",
"structure_string": "Sn4 P4 Se12\n1.0\n6.951831 0.000000 -0.132699\n0.000000 7.664654 0.000000\n-0.003899 0.000000 9.821702\nSn P Se\n4 4 12\ndirect\n0.461833 0.880219 0.720507 Sn\n0.538166 0.119780 0.279493 Sn\n0.961833 0.619780 0.220507 Sn\n0.038166 0.380220 0.779493 Sn\n0.942373 0.891796 0.566445 P\n0.442373 0.608203 0.066445 P\n0.057626 0.108203 0.433555 P\n0.557626 0.391796 0.933554 P\n0.384951 0.494227 0.268869 Se\n0.884950 0.005773 0.768868 Se\n0.615049 0.505772 0.731131 Se\n0.336112 0.185877 0.940548 Se\n0.663888 0.814123 0.059452 Se\n0.836112 0.314123 0.440548 Se\n0.826828 0.297076 0.039634 Se\n0.673171 0.797076 0.460365 Se\n0.173171 0.702923 0.960365 Se\n0.326828 0.202923 0.539634 Se\n0.115049 0.994227 0.231131 Se\n0.163888 0.685877 0.559452 Se\n",
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],
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"volume": 523.3295072142112,
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"formula_full": "Sn4 P4 Se12",
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{
"id": "jvasp-21347",
"created_at": "2022-09-04T14:37:08.033075Z",
"updated_at": "2022-09-04T14:37:08.033109Z",
"structure_string": "Ca2 Cr2 Si4 O12\n1.0\n5.157354 -0.005868 1.056897\n1.237638 6.640718 0.594138\n-0.037810 -0.011614 6.781027\nCa Cr Si O\n2 2 4 12\ndirect\n0.750000 0.300762 0.699239 Ca\n0.250001 0.699238 0.300764 Ca\n0.249999 0.095273 0.904729 Cr\n0.749999 0.904730 0.095272 Cr\n0.274101 0.193518 0.379647 Si\n0.225898 0.620354 0.806483 Si\n0.774101 0.379647 0.193518 Si\n0.725899 0.806483 0.620354 Si\n0.639996 0.975460 0.789334 O\n0.860004 0.210665 0.024541 O\n0.672308 0.606531 0.116576 O\n0.827690 0.883426 0.393469 O\n0.327690 0.393468 0.883426 O\n0.982687 0.628063 0.675175 O\n0.017312 0.371937 0.324826 O\n0.482688 0.675175 0.628065 O\n0.360003 0.024541 0.210667 O\n0.517312 0.324827 0.371936 O\n0.172309 0.116574 0.606532 O\n0.139997 0.789335 0.975460 O\n",
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"volume": 232.57537659034134,
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"formula_full": "Ca2 Cr2 Si4 O12",
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{
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"created_at": "2022-09-04T14:37:33.666315Z",
"updated_at": "2022-09-04T14:37:33.666324Z",
"structure_string": "Ca2 Al4 Si2 O12\n1.0\n0.019980 0.000000 5.318751\n-4.654223 4.342904 1.324817\n-4.654223 -4.342904 1.324817\nCa Al Si O\n2 4 2 12\ndirect\n0.250001 0.311804 0.688196 Ca\n0.750001 0.688398 0.311601 Ca\n0.213809 0.813940 0.615168 Al\n0.286192 0.384832 0.186059 Al\n0.250001 0.911238 0.088761 Al\n0.750001 0.089790 0.910209 Al\n0.782079 0.194644 0.387056 Si\n0.717922 0.612943 0.805355 Si\n0.632302 0.804817 0.968989 O\n0.014439 0.327781 0.381189 O\n0.692888 0.096346 0.626494 O\n0.867699 0.031010 0.195182 O\n0.527004 0.372847 0.341464 O\n0.324502 0.899513 0.356727 O\n0.387202 0.178902 0.012938 O\n0.972997 0.658535 0.627152 O\n0.807113 0.373506 0.903653 O\n0.112799 0.987061 0.821098 O\n0.175499 0.643272 0.100486 O\n0.485562 0.618810 0.672218 O\n",
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}
]
}