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{
"id": "jvasp-59245",
"created_at": "2022-09-04T14:38:10.313713Z",
"updated_at": "2022-09-04T14:38:10.313742Z",
"structure_string": "Sr5 Bi3 O12\n1.0\n6.003604 -0.004795 0.004905\n0.004017 6.201581 -0.010467\n0.028853 0.065077 8.566201\nSr Bi O\n5 3 12\ndirect\n0.000000 0.000000 0.000000 Sr\n0.983404 0.445644 0.241883 Sr\n0.512755 0.948963 0.244299 Sr\n0.487244 0.051036 0.755702 Sr\n0.016596 0.554356 0.758117 Sr\n0.500000 0.500000 0.500000 Bi\n0.500000 0.500000 0.000000 Bi\n-0.000000 0.000000 0.500000 Bi\n0.208860 0.323538 0.952415 O\n0.289773 0.792232 0.561105 O\n0.328527 0.788489 0.946655 O\n0.389274 0.546972 0.250567 O\n0.610725 0.453028 0.749433 O\n0.795252 0.715094 0.431470 O\n0.710227 0.207768 0.438895 O\n0.791139 0.676461 0.047585 O\n0.204747 0.284905 0.568531 O\n0.887895 0.951758 0.729558 O\n0.671472 0.211511 0.053345 O\n0.112104 0.048242 0.270442 O\n",
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{
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"updated_at": "2022-09-04T14:38:10.600713Z",
"structure_string": "Lu6 Al2 O12\n1.0\n4.309798 5.391755 0.000000\n-4.309798 5.391755 0.000000\n0.000000 0.000000 5.265811\nLu Al O\n6 2 12\ndirect\n0.297568 0.912992 0.477633 Lu\n0.087007 0.702431 0.977633 Lu\n0.397863 0.397863 0.429667 Lu\n0.602136 0.602136 0.929666 Lu\n0.702431 0.087007 0.977633 Lu\n0.912992 0.297568 0.477633 Lu\n0.195233 0.195233 0.010089 Al\n0.804767 0.804767 0.510089 Al\n0.892391 0.579545 0.682533 O\n0.420454 0.107608 0.182533 O\n0.958231 0.958231 0.641308 O\n0.784709 0.784709 0.175682 O\n0.215290 0.215290 0.675682 O\n0.321106 0.642893 0.704141 O\n0.579545 0.892391 0.682533 O\n0.107608 0.420454 0.182533 O\n0.678893 0.357106 0.204141 O\n0.357106 0.678893 0.204141 O\n0.041769 0.041769 0.141308 O\n0.642893 0.321106 0.704141 O\n",
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{
"id": "jvasp-45255",
"created_at": "2022-09-04T14:38:06.255099Z",
"updated_at": "2022-09-04T14:38:06.255124Z",
"structure_string": "Na4 Sn2 Te2 O12\n1.0\n0.000000 5.459253 0.001028\n5.544474 0.000000 0.000000\n0.000000 -5.459594 -7.785571\nNa Sn Te O\n4 2 2 12\ndirect\n0.240649 0.956288 0.250408 Na\n0.759351 0.456289 0.249592 Na\n0.240649 0.543711 0.750408 Na\n0.759351 0.043711 0.749592 Na\n0.500000 0.500000 0.500000 Sn\n0.500000 0.000000 -0.000000 Sn\n0.000000 0.500000 0.000000 Te\n0.000000 0.000000 0.500000 Te\n0.663225 0.029550 0.258786 O\n0.336775 0.529549 0.241213 O\n0.138952 0.789359 0.949387 O\n0.861049 0.289359 0.550613 O\n0.861048 0.210641 0.050613 O\n0.756751 0.694344 0.048126 O\n0.243249 0.305655 0.951873 O\n0.756751 0.805655 0.548126 O\n0.663225 0.470450 0.758786 O\n0.243249 0.194344 0.451874 O\n0.138951 0.710640 0.449387 O\n0.336775 0.970450 0.741213 O\n",
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"formula_full": "Na4 Sn2 Te2 O12",
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{
"id": "jvasp-39644",
"created_at": "2022-09-04T14:38:06.263430Z",
"updated_at": "2022-09-04T14:38:06.263462Z",
"structure_string": "Sr4 Ga8 As8\n1.0\n0.000000 9.655814 -0.005161\n4.096967 0.000000 0.000000\n0.000000 -1.225777 -12.566352\nSr Ga As\n4 8 8\ndirect\n0.500000 0.000000 -0.000000 Sr\n-0.000000 0.000000 0.500000 Sr\n0.201350 0.500000 0.775876 Sr\n0.798649 0.500000 0.224124 Sr\n0.600379 0.000000 0.446399 Ga\n0.107858 0.000000 0.062587 Ga\n0.392874 0.500000 0.218849 Ga\n0.892141 0.000000 0.937413 Ga\n0.194447 0.500000 0.323650 Ga\n0.399620 0.000000 0.553601 Ga\n0.805552 0.500000 0.676350 Ga\n0.607125 0.500000 0.781151 Ga\n0.260631 0.500000 0.031431 As\n0.951361 0.000000 0.742365 As\n0.448766 0.000000 0.754854 As\n0.048639 0.000000 0.257635 As\n0.551233 0.000000 0.245146 As\n0.757926 0.500000 0.475218 As\n0.739368 0.500000 0.968569 As\n0.242073 0.500000 0.524781 As\n",
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"volume": 497.14516517708006,
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{
"id": "jvasp-46814",
"created_at": "2022-09-04T14:38:08.166721Z",
"updated_at": "2022-09-04T14:38:08.166737Z",
"structure_string": "Li6 Cu2 Sb2 O10\n1.0\n5.182487 -0.033228 -0.040112\n-1.327209 5.329599 0.057405\n-1.781640 -2.419657 7.188305\nLi Cu Sb O\n6 2 2 10\ndirect\n0.222800 0.877362 0.362612 Li\n0.415737 0.299051 0.812380 Li\n0.497788 0.469655 0.491548 Li\n0.286593 0.131585 0.104828 Li\n0.597596 0.696680 0.197652 Li\n0.776195 0.109313 0.615626 Li\n0.005674 0.498227 -0.000453 Cu\n0.708811 0.892160 0.904530 Cu\n0.885207 0.294654 0.297107 Sb\n0.108890 0.703580 0.700357 Sb\n0.664832 0.346172 0.069965 O\n0.054651 0.036716 0.827476 O\n0.346688 0.679623 0.939424 O\n0.146010 0.344672 0.553480 O\n0.223338 0.501961 0.240274 O\n0.462423 0.892009 0.668892 O\n0.552729 0.118273 0.352751 O\n0.788963 0.479047 0.756036 O\n0.866727 0.664044 0.445597 O\n0.933289 0.957368 0.166362 O\n",
"nsites": 20,
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],
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"density_atomic": 0.10078527865743632,
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"formula_full": "Li6 Cu2 Sb2 O10",
"formula_reduced": "Li3CuSbO5",
"formula_anonymous": "ABC3D5",
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"spacegroup": 1
},
{
"id": "jvasp-56505",
"created_at": "2022-09-04T14:38:00.424771Z",
"updated_at": "2022-09-04T14:38:00.424789Z",
"structure_string": "Ag4 Te12 I4\n1.0\n4.765562 0.000000 0.000000\n-0.000000 8.875779 0.000000\n0.000000 0.000000 16.440063\nAg Te I\n4 12 4\ndirect\n0.302970 0.750000 0.250000 Ag\n0.302970 0.750000 0.750000 Ag\n0.697030 0.250000 0.250000 Ag\n0.697030 0.250000 0.750000 Ag\n0.646128 0.639151 0.625476 Te\n0.353871 0.360849 0.625476 Te\n0.646128 0.860849 0.874524 Te\n0.353871 0.139151 0.125476 Te\n0.633331 0.287571 0.000000 Te\n0.353871 0.360849 0.374524 Te\n0.646128 0.639151 0.374524 Te\n0.633331 0.212429 0.500000 Te\n0.353871 0.139151 0.874524 Te\n0.366668 0.787571 0.500000 Te\n0.646128 0.860849 0.125476 Te\n0.366668 0.712429 0.000000 Te\n0.000000 0.000000 0.673709 I\n0.000000 0.500000 0.826291 I\n0.000000 0.500000 0.173709 I\n0.000000 0.000000 0.326291 I\n",
"nsites": 20,
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],
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"density_atomic": 0.028761127940430897,
"volume": 695.3830197975317,
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{
"id": "jvasp-32273",
"created_at": "2022-09-04T14:38:01.641195Z",
"updated_at": "2022-09-04T14:38:01.641210Z",
"structure_string": "Bi2 Cl2 F16\n1.0\n5.085801 -0.084131 -0.421873\n-0.316959 5.709180 -0.104930\n-0.123874 0.034153 10.508914\nBi Cl F\n2 2 16\ndirect\n0.000000 0.000000 0.000000 Bi\n0.000000 -0.000000 0.500000 Bi\n0.570834 0.603236 0.248426 Cl\n0.429166 0.396764 0.751574 Cl\n0.188225 0.325905 0.570256 F\n0.811775 0.674095 0.429743 F\n0.118130 0.218813 0.851085 F\n0.881870 0.781187 0.148915 F\n0.642191 0.951568 0.894986 F\n0.357809 0.048432 0.105014 F\n0.818687 0.170812 0.351535 F\n0.644648 0.531961 0.669013 F\n0.355353 0.468039 0.330987 F\n0.601019 0.448166 0.888579 F\n0.398981 0.551834 0.111420 F\n0.300563 0.947727 0.390457 F\n0.699437 0.052273 0.609542 F\n0.181313 0.829187 0.648464 F\n0.888281 0.288174 0.090872 F\n0.111719 0.711826 0.909128 F\n",
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"elements": [
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{
"id": "jvasp-44515",
"created_at": "2022-09-04T14:38:08.922346Z",
"updated_at": "2022-09-04T14:38:08.922372Z",
"structure_string": "Li3 Fe1 Sb4 O12\n1.0\n5.166202 0.017412 -0.001664\n0.030973 5.627125 0.036250\n0.004390 0.649411 7.616235\nLi Fe Sb O\n3 1 4 12\ndirect\n0.497940 0.057752 0.790993 Li\n0.000457 0.572159 0.780624 Li\n0.498821 0.038343 0.277267 Li\n0.994348 0.613659 0.300577 Fe\n-0.000845 -0.005572 0.994083 Sb\n0.502940 0.483347 0.498587 Sb\n0.006705 0.021721 0.509518 Sb\n0.493368 0.487066 -0.002434 Sb\n0.299678 0.785521 0.904338 O\n0.152574 0.635509 0.530004 O\n0.832173 0.651397 0.068877 O\n0.321962 0.459769 0.241934 O\n0.641587 0.471148 0.748041 O\n0.851351 0.955154 0.761189 O\n0.819727 0.336960 0.383694 O\n0.664450 0.158036 0.057728 O\n0.141524 0.928590 0.236930 O\n0.705392 0.775534 0.395074 O\n0.193370 0.289429 0.906475 O\n0.382467 0.143683 0.546101 O\n",
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],
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"volume": 221.2848197735157,
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"formula_full": "Li3 Fe1 Sb4 O12",
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{
"id": "jvasp-30246",
"created_at": "2022-09-04T14:38:01.635722Z",
"updated_at": "2022-09-04T14:38:01.635740Z",
"structure_string": "Mn6 O2 F12\n1.0\n7.409670 0.582232 -0.007945\n-0.336759 4.915507 0.375669\n3.186600 -1.228719 7.027403\nMn O F\n6 2 12\ndirect\n0.269497 0.455859 0.074990 Mn\n0.146690 0.959064 0.789406 Mn\n0.482255 0.712061 0.362184 Mn\n0.517745 0.287939 0.637815 Mn\n0.853310 0.040936 0.210593 Mn\n0.730503 0.544140 0.925009 Mn\n0.683882 0.796665 0.140342 O\n0.316118 0.203335 0.859657 O\n0.937440 0.739895 0.758395 F\n0.663396 0.386319 0.380114 F\n0.679973 0.914014 0.468278 F\n0.473018 0.666159 0.897103 F\n0.526983 0.333841 0.102896 F\n0.255545 0.710180 0.288614 F\n0.336604 0.613681 0.619885 F\n0.062560 0.260105 0.241604 F\n0.744455 0.289819 0.711385 F\n0.080974 0.765452 0.031546 F\n0.320027 0.085986 0.531721 F\n0.919026 0.234548 -0.031547 F\n",
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{
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"created_at": "2022-09-04T14:38:08.410358Z",
"updated_at": "2022-09-04T14:38:08.410372Z",
"structure_string": "P8 O12\n1.0\n0.000000 6.230003 -0.026724\n7.708402 0.000000 0.000000\n0.000000 -2.088474 -6.325152\nP O\n8 12\ndirect\n0.749050 0.943408 0.873995 P\n0.250950 0.443409 0.126004 P\n0.250950 0.056591 0.126004 P\n0.749050 0.556591 0.873995 P\n0.664687 0.250000 0.371062 P\n0.335313 0.750000 0.628937 P\n0.254241 0.250000 0.516229 P\n0.745759 0.750000 0.483770 P\n0.533627 0.250000 0.553818 O\n0.466373 0.750000 0.446181 O\n0.530626 0.415060 0.222846 O\n0.469374 0.915060 0.777153 O\n0.817869 0.584858 0.653939 O\n0.819058 0.750000 0.984219 O\n0.182131 0.415142 0.346060 O\n0.817869 0.915142 0.653939 O\n0.469374 0.584939 0.777153 O\n0.180942 0.250000 0.015780 O\n0.182131 0.084858 0.346060 O\n0.530626 0.084940 0.222846 O\n",
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"volume": 304.185323783566,
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"formula_full": "P8 O12",
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},
{
"id": "jvasp-36997",
"created_at": "2022-09-04T14:38:08.933922Z",
"updated_at": "2022-09-04T14:38:08.933938Z",
"structure_string": "Rb4 Sn4 Br12\n1.0\n4.510942 -0.000000 0.000000\n0.000000 9.368838 0.000000\n0.000000 0.000000 16.271703\nRb Sn Br\n4 4 12\ndirect\n0.750000 0.091053 0.329706 Rb\n0.250000 0.908947 0.670294 Rb\n0.750000 0.591053 0.170294 Rb\n0.250000 0.408947 0.829706 Rb\n0.250000 0.160905 0.062984 Sn\n0.750000 0.839095 0.937015 Sn\n0.250000 0.660905 0.437016 Sn\n0.750000 0.339095 0.562984 Sn\n0.750000 0.692793 0.788439 Br\n0.250000 0.307207 0.211561 Br\n0.750000 0.470648 0.376340 Br\n0.250000 0.529352 0.623660 Br\n0.750000 0.970648 0.123660 Br\n0.250000 0.660243 0.004392 Br\n0.250000 0.160243 0.495608 Br\n0.750000 0.839758 0.504392 Br\n0.250000 0.807207 0.288439 Br\n0.750000 0.339757 0.995608 Br\n0.250000 0.029352 0.876340 Br\n0.750000 0.192793 0.711561 Br\n",
"nsites": 20,
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],
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"spacegroup": 62
},
{
"id": "jvasp-35264",
"created_at": "2022-09-04T14:38:05.084123Z",
"updated_at": "2022-09-04T14:38:05.084136Z",
"structure_string": "Na8 Zn4 Se8\n1.0\n0.000000 7.172996 0.014435\n7.373204 0.000000 0.000000\n0.000000 -0.483773 -9.114575\nNa Zn Se\n8 4 8\ndirect\n0.539996 0.684064 0.676740 Na\n0.960005 0.184065 0.323261 Na\n0.460005 0.315935 0.323261 Na\n0.039996 0.815935 0.676740 Na\n0.512210 0.765013 0.058480 Na\n0.987792 0.265013 0.941522 Na\n0.487792 0.234986 0.941521 Na\n0.012209 0.734986 0.058480 Na\n0.342341 0.906792 0.371674 Zn\n0.157660 0.406793 0.628327 Zn\n0.657660 0.093207 0.628327 Zn\n0.842341 0.593207 0.371674 Zn\n0.299886 0.101732 0.599235 Se\n0.200114 0.601731 0.400766 Se\n0.700115 0.898268 0.400766 Se\n0.799887 0.398268 0.599235 Se\n0.244544 0.046500 0.140631 Se\n0.255457 0.546499 0.859370 Se\n0.755458 0.953500 0.859370 Se\n0.744544 0.453500 0.140631 Se\n",
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}
]
}