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{
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"structure_string": "Mg4 Ta2 Bi2 O12\n1.0\n0.000000 5.570423 0.000165\n7.957489 0.000000 0.000000\n0.000000 -0.327847 -5.587828\nMg Ta Bi O\n4 2 2 12\ndirect\n0.970857 0.250000 0.018269 Mg\n0.473098 0.250000 0.477494 Mg\n0.526901 0.750000 0.522505 Mg\n0.029142 0.750000 0.981731 Mg\n0.500000 0.000000 -0.000000 Ta\n0.500000 0.500000 -0.000000 Ta\n-0.000000 0.000000 0.500000 Bi\n-0.000000 0.500000 0.500000 Bi\n0.180376 0.071823 0.876230 O\n0.126344 0.250000 0.350476 O\n0.819623 0.928177 0.123770 O\n0.632762 0.072841 0.693464 O\n0.367237 0.572841 0.306536 O\n0.632762 0.427159 0.693464 O\n0.367237 0.927159 0.306536 O\n0.180376 0.428177 0.876230 O\n0.873655 0.750000 0.649524 O\n0.819623 0.571823 0.123770 O\n0.405713 0.750000 0.868558 O\n0.594286 0.250000 0.131442 O\n",
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{
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"structure_string": "Ho8 Te12\n1.0\n13.424208 -0.030951 4.978835\n11.583593 6.782169 2.500909\n0.001215 -0.004498 7.479744\nHo Te\n8 12\ndirect\n0.332857 0.332857 0.167143 Ho\n0.167143 0.167143 0.332857 Ho\n0.917143 0.917144 0.082857 Ho\n0.082857 0.082857 0.917143 Ho\n0.999729 0.999729 0.500271 Ho\n0.500271 0.500271 0.999729 Ho\n0.250271 0.250271 0.749729 Ho\n0.749729 0.749729 0.250271 Ho\n0.417668 0.915685 0.584500 Te\n0.584501 0.082147 0.417668 Te\n0.167853 0.665500 0.334315 Te\n0.334315 0.832332 0.167854 Te\n0.832332 0.334315 0.665500 Te\n0.503473 0.996527 0.996527 Te\n0.746527 0.253473 0.253473 Te\n0.253473 0.746527 0.746527 Te\n0.915684 0.417668 0.082147 Te\n0.996527 0.503473 0.503473 Te\n0.665500 0.167853 0.832331 Te\n0.082147 0.584500 0.915684 Te\n",
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{
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"updated_at": "2022-09-04T14:38:43.642747Z",
"structure_string": "Sr2 La2 Mg2 Ru2 O12\n1.0\n5.609583 0.000000 0.000000\n-0.000000 4.567475 3.230451\n-0.000000 -0.004936 9.673815\nSr La Mg Ru O\n2 2 2 2 12\ndirect\n0.222434 0.245558 0.250187 Sr\n0.777566 0.245558 0.750187 Sr\n0.284808 0.756288 0.750925 La\n0.715191 0.756288 0.250925 La\n0.753299 0.499945 0.000491 Mg\n0.246700 0.499945 0.500492 Mg\n0.750905 -0.000142 0.500174 Ru\n0.249095 -0.000142 0.000174 Ru\n0.240381 0.319357 0.755809 O\n0.759618 0.319358 0.255809 O\n0.522228 0.818561 0.965566 O\n0.477772 0.818562 0.465565 O\n0.968114 0.167369 0.038037 O\n0.042461 0.757855 0.962026 O\n0.466435 0.239133 0.032735 O\n0.533565 0.239132 0.532736 O\n0.734636 0.696076 0.744052 O\n0.957539 0.757856 0.462026 O\n0.031886 0.167369 0.538037 O\n0.265363 0.696076 0.244052 O\n",
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{
"id": "jvasp-119177",
"created_at": "2022-09-04T14:38:36.253946Z",
"updated_at": "2022-09-04T14:38:36.253961Z",
"structure_string": "K1 Fe4 Si3 O12\n1.0\n5.210468 -0.020180 -0.468415\n-2.683587 4.502681 -0.403539\n0.100037 0.126158 10.095565\nK Fe Si O\n1 4 3 12\ndirect\n0.501715 0.512238 0.008407 K\n0.990153 0.986422 0.497829 Fe\n0.657104 0.345286 0.496158 Fe\n0.380869 0.660778 0.510434 Fe\n0.091119 0.766286 0.777513 Fe\n0.770188 0.105090 0.782844 Si\n0.899991 0.241732 0.228859 Si\n0.234399 0.911684 0.228468 Si\n0.727162 0.060315 0.610405 O\n0.010844 0.689205 0.586951 O\n0.652346 0.631362 0.390490 O\n0.351832 0.320748 0.588129 O\n0.548015 0.053874 0.164088 O\n0.053180 0.063367 0.166263 O\n0.471825 0.835055 0.828396 O\n0.813697 0.422205 0.840632 O\n0.947277 0.281876 0.391862 O\n0.056970 0.085951 0.841555 O\n0.046264 0.559596 0.168991 O\n0.295055 0.966936 0.391715 O\n",
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"formula_full": "K1 Fe4 Si3 O12",
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{
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"updated_at": "2022-09-04T14:38:43.275957Z",
"structure_string": "Pb4 C4 O12\n1.0\n8.545417 -0.000000 0.000000\n0.000000 5.223941 0.003301\n-0.000000 -0.004180 6.081245\nPb C O\n4 4 12\ndirect\n0.416990 0.250036 0.244485 Pb\n0.916990 0.749963 0.255514 Pb\n0.583010 0.749963 0.755514 Pb\n0.083010 0.250036 0.744485 Pb\n0.762158 0.249976 0.090000 C\n0.262158 0.750024 0.409999 C\n0.237842 0.750024 0.909999 C\n0.737842 0.249976 0.590000 C\n0.185630 0.965620 0.408344 O\n0.685630 0.034380 0.091655 O\n0.814386 0.465566 0.591706 O\n0.314386 0.534434 0.908292 O\n0.185615 0.534434 0.408293 O\n0.414207 0.750006 0.399352 O\n0.585794 0.249994 0.600647 O\n0.085794 0.750006 0.899352 O\n0.314370 0.965620 0.908344 O\n0.914207 0.249994 0.100647 O\n0.685615 0.465566 0.091707 O\n0.814371 0.034380 0.591655 O\n",
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"formula_full": "Pb4 C4 O12",
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},
{
"id": "jvasp-112661",
"created_at": "2022-09-04T14:38:43.060122Z",
"updated_at": "2022-09-04T14:38:43.060156Z",
"structure_string": "Na2 Pr2 Ti4 O12\n1.0\n5.442199 0.000000 0.000000\n0.000000 5.518242 0.000000\n-0.000000 0.000000 7.722368\nNa Pr Ti O\n2 2 4 12\ndirect\n0.499918 0.773439 0.500000 Na\n0.999919 0.226561 -0.000000 Na\n0.010462 0.293081 0.500000 Pr\n0.510462 0.706918 -0.000000 Pr\n0.511072 0.240886 0.752193 Ti\n0.011072 0.759114 0.252192 Ti\n0.511072 0.240886 0.247808 Ti\n0.011072 0.759114 0.747808 Ti\n0.930935 0.738256 0.500000 O\n0.566937 0.236176 0.500000 O\n0.208071 0.038852 0.713968 O\n0.276732 0.534066 0.284373 O\n0.776732 0.465934 0.215627 O\n0.208071 0.038852 0.286032 O\n0.776732 0.465934 0.784373 O\n0.708071 0.961148 0.213968 O\n0.430935 0.261744 -0.000000 O\n0.276732 0.534066 0.715627 O\n0.708071 0.961148 0.786033 O\n0.066937 0.763824 -0.000000 O\n",
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{
"id": "jvasp-116778",
"created_at": "2022-09-04T14:38:44.420405Z",
"updated_at": "2022-09-04T14:38:44.420424Z",
"structure_string": "Ho4 Fe4 O12\n1.0\n5.094693 -0.000000 0.000000\n0.000000 5.534375 0.000000\n-0.000000 -0.000000 7.338639\nHo Fe O\n4 4 12\ndirect\n0.023465 0.922804 0.750000 Ho\n0.523465 0.577194 0.250000 Ho\n0.476535 0.422805 0.750000 Ho\n0.976534 0.077195 0.250000 Ho\n-0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.500000 0.000000 -0.000000 Fe\n-0.000000 0.500000 -0.000000 Fe\n0.603279 0.030058 0.750000 O\n0.103280 0.469942 0.250000 O\n0.687815 0.303318 0.050878 O\n0.187815 0.196681 0.949122 O\n0.812184 0.803318 0.449122 O\n0.187815 0.196681 0.550878 O\n0.312184 0.696681 0.949122 O\n0.812184 0.803318 0.050878 O\n0.396720 0.969941 0.250000 O\n0.687815 0.303318 0.449122 O\n0.312184 0.696681 0.550878 O\n0.896720 0.530057 0.750000 O\n",
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{
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"created_at": "2022-09-04T14:38:35.649070Z",
"updated_at": "2022-09-04T14:38:35.649087Z",
"structure_string": "Sb8 Se6 S6\n1.0\n3.968504 -0.000000 0.000000\n0.000000 11.394474 0.000000\n0.000000 -0.000000 11.661660\nSb Se S\n8 6 6\ndirect\n0.500000 0.205663 0.651850 Sb\n0.500000 0.794336 0.151850 Sb\n-0.000000 0.291226 0.346843 Sb\n-0.000000 0.708773 0.846843 Sb\n-0.000000 0.920498 0.529586 Sb\n-0.000000 0.079502 0.029586 Sb\n0.500000 0.589544 0.475917 Sb\n0.500000 0.410456 0.975917 Sb\n0.500000 0.884458 0.942490 Se\n0.500000 0.115542 0.442490 Se\n-0.000000 0.619716 0.057096 Se\n0.500000 0.546855 0.781908 Se\n0.500000 0.453144 0.281908 Se\n-0.000000 0.380284 0.557096 Se\n-0.000000 0.053669 0.709760 S\n0.500000 0.807809 0.625740 S\n0.500000 0.192190 0.125740 S\n-0.000000 0.699128 0.378811 S\n-0.000000 0.300872 0.878811 S\n-0.000000 0.946330 0.209760 S\n",
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"volume": 527.3287860087811,
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"formula_full": "Sb8 Se6 S6",
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{
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"created_at": "2022-09-04T14:38:31.308298Z",
"updated_at": "2022-09-04T14:38:31.308316Z",
"structure_string": "Na6 Y2 Cl12\n1.0\n0.000000 6.753840 -0.027092\n7.261680 0.000000 0.000000\n0.000000 -6.596164 -10.071224\nNa Y Cl\n6 2 12\ndirect\n0.500000 0.500000 0.500000 Na\n0.500000 0.000000 -0.000000 Na\n0.289840 0.913729 0.257451 Na\n0.710160 0.413729 0.242549 Na\n0.710160 0.086271 0.742549 Na\n0.289840 0.586271 0.757451 Na\n0.000000 0.000000 0.500000 Y\n0.000000 0.500000 0.000000 Y\n0.094893 0.563039 0.241701 Cl\n0.905107 0.063039 0.258298 Cl\n0.612095 0.179730 0.431165 Cl\n0.387905 0.679730 0.068834 Cl\n0.387906 0.820270 0.568834 Cl\n0.247531 0.308292 0.579274 Cl\n0.752469 0.691708 0.420725 Cl\n0.752470 0.808292 0.920725 Cl\n0.247531 0.191708 0.079274 Cl\n0.094893 0.936961 0.741701 Cl\n0.612095 0.320270 0.931165 Cl\n0.905107 0.436961 0.758298 Cl\n",
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},
{
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"created_at": "2022-09-04T14:38:35.655187Z",
"updated_at": "2022-09-04T14:38:35.655201Z",
"structure_string": "Zn4 Sn2 Sb2 O12\n1.0\n0.000000 5.414818 -0.009724\n8.043126 0.000000 0.000000\n0.000000 -0.001640 -5.417855\nZn Sn Sb O\n4 2 2 12\ndirect\n0.528429 0.750000 0.511090 Zn\n0.471572 0.250000 0.488908 Zn\n0.022781 0.750000 0.988575 Zn\n0.977219 0.250000 0.011423 Zn\n0.000000 0.500000 0.500000 Sn\n0.000000 0.000000 0.500000 Sn\n0.500000 0.500000 -0.000000 Sb\n0.500000 0.000000 -0.000000 Sb\n0.329248 0.572636 0.337893 O\n0.899773 0.750000 0.628047 O\n0.670753 0.072635 0.662106 O\n0.596390 0.250000 0.121018 O\n0.832307 0.927909 0.168157 O\n0.167693 0.072091 0.831842 O\n0.832307 0.572091 0.168157 O\n0.329248 0.927365 0.337893 O\n0.403610 0.750000 0.878980 O\n0.670753 0.427365 0.662106 O\n0.167693 0.427909 0.831842 O\n0.100227 0.250000 0.371951 O\n",
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"spacegroup": 11
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{
"id": "jvasp-119579",
"created_at": "2022-09-04T14:38:35.655495Z",
"updated_at": "2022-09-04T14:38:35.655524Z",
"structure_string": "Ce2 Lu6 S12\n1.0\n3.906656 0.000000 0.000000\n-0.000000 10.314891 3.552513\n-0.000000 -0.000414 11.158971\nCe Lu S\n2 6 12\ndirect\n0.750001 0.550711 0.803782 Ce\n0.250000 0.449290 0.196217 Ce\n0.750001 0.178781 -0.000017 Lu\n0.250000 0.821219 0.000017 Lu\n0.750001 0.943491 0.665889 Lu\n0.250000 0.056509 0.334110 Lu\n0.750001 0.660638 0.412683 Lu\n0.250000 0.339363 0.587317 Lu\n0.250000 0.768495 0.769924 S\n0.750001 0.231505 0.230075 S\n0.250000 0.582474 0.591720 S\n0.750001 0.417527 0.408279 S\n0.250000 0.108124 0.556747 S\n0.250000 0.020256 0.113095 S\n0.250000 0.698890 0.250107 S\n0.750001 0.301110 0.749893 S\n0.750001 0.621207 0.035831 S\n0.750001 0.979744 0.886904 S\n0.750001 0.891877 0.443252 S\n0.250000 0.378793 0.964169 S\n",
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{
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"created_at": "2022-09-04T14:38:43.661632Z",
"updated_at": "2022-09-04T14:38:43.661651Z",
"structure_string": "Sm4 Si10 Rh6\n1.0\n7.910689 -0.007716 -2.210595\n-1.558547 5.227636 -6.140728\n-0.018210 0.007716 8.213732\nSm Si Rh\n4 10 6\ndirect\n0.636348 0.868767 0.767582 Sm\n0.363652 0.131234 0.232417 Sm\n0.101184 0.368767 0.732418 Sm\n0.898816 0.631234 0.267582 Sm\n0.000000 0.250000 0.250000 Si\n0.000000 0.750001 0.750000 Si\n0.238779 0.894378 0.344401 Si\n0.761221 0.105623 0.655598 Si\n0.549976 0.394377 0.155599 Si\n0.276611 0.526611 0.250000 Si\n0.723389 0.473389 0.750000 Si\n0.723389 0.973390 0.250000 Si\n0.276611 0.026611 0.750000 Si\n0.450024 0.605624 0.844401 Si\n0.500000 0.750000 0.250000 Rh\n0.248110 0.639287 0.608823 Rh\n0.751890 0.360714 0.391177 Rh\n0.030464 0.139287 0.891178 Rh\n0.969536 0.860714 0.108822 Rh\n0.500000 0.250000 0.750000 Rh\n",
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],
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}
]
}