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{
"id": "jvasp-39333",
"created_at": "2022-09-04T14:37:58.156835Z",
"updated_at": "2022-09-04T14:37:58.156861Z",
"structure_string": "H3 Pb1\n1.0\n-1.955852 1.955852 2.765142\n1.955852 -1.955852 2.765142\n1.955852 1.955852 -2.765142\nH Pb\n3 1\ndirect\n0.749999 0.249999 0.500001 H\n0.249999 0.749999 0.500001 H\n0.500000 0.500000 0.000000 H\n0.000000 0.000000 0.000000 Pb\n",
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{
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"structure_string": "Mn4 Cu2 O8\n1.0\n5.073329 0.031575 3.295366\n1.461346 4.846530 2.687996\n0.007138 0.031575 6.049632\nMn Cu O\n4 2 8\ndirect\n0.021527 0.978474 0.021526 Mn\n0.228474 0.271527 0.228474 Mn\n0.125001 0.625001 0.625000 Mn\n0.625000 0.625001 0.125000 Mn\n0.625000 0.125001 0.625000 Cu\n0.625001 0.625001 0.625000 Cu\n0.364542 0.406855 0.364541 O\n0.358094 0.407930 0.826048 O\n0.364542 0.864065 0.364541 O\n0.423952 0.842073 0.891906 O\n0.826049 0.407930 0.358094 O\n0.891907 0.842073 0.423951 O\n0.885459 0.385938 0.885458 O\n0.885460 0.843148 0.885458 O\n",
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{
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"structure_string": "Li2 Mn4 Ni2 O12\n1.0\n4.944299 0.006243 -0.400146\n-2.513527 4.257628 0.400535\n-0.180573 0.102841 10.060659\nLi Mn Ni O\n2 4 2 12\ndirect\n0.354182 0.854278 0.249992 Li\n0.645818 0.145722 0.750007 Li\n0.166355 0.834264 0.504826 Mn\n0.334264 0.666356 0.995180 Mn\n0.665735 0.333643 0.004819 Mn\n0.833644 0.165735 0.495173 Mn\n0.499999 0.500000 0.500000 Ni\n0.000002 -0.000000 0.000000 Ni\n0.179169 0.158243 0.597087 O\n0.658268 0.679208 0.902911 O\n0.980346 0.341727 0.901351 O\n0.019654 0.658273 0.098647 O\n0.820830 0.841756 0.402912 O\n0.653764 0.981315 0.103298 O\n0.841702 0.480311 0.598648 O\n0.346236 0.018685 0.896700 O\n0.341731 0.320791 0.097086 O\n0.518662 0.846196 0.603295 O\n0.481337 0.153803 0.396704 O\n0.158298 0.519688 0.401351 O\n",
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"formula_full": "Li2 Mn4 Ni2 O12",
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{
"id": "jvasp-112282",
"created_at": "2022-09-04T14:38:26.653003Z",
"updated_at": "2022-09-04T14:38:26.653031Z",
"structure_string": "Mn5 Cr1 O12\n1.0\n4.985606 0.002480 0.236159\n-2.512716 4.306104 0.236159\n0.402968 0.702103 8.942016\nMn Cr O\n5 1 12\ndirect\n0.166704 0.833352 0.499999 Mn\n0.666634 0.333295 0.000000 Mn\n0.333295 0.666633 0.000001 Mn\n0.833353 0.166704 0.499999 Mn\n0.500029 0.500029 0.499999 Mn\n-0.000036 -0.000036 0.000002 Cr\n0.700274 0.035734 0.892001 O\n0.628770 0.628769 0.108000 O\n-0.035804 0.299660 0.107998 O\n0.464239 0.130997 0.607884 O\n0.797749 0.797748 0.607907 O\n0.535817 0.869058 0.392118 O\n0.869059 0.535817 0.392118 O\n0.371159 0.371158 0.891999 O\n0.035734 0.700272 0.892001 O\n0.299660 -0.035803 0.107998 O\n0.130997 0.464238 0.607885 O\n0.202307 0.202307 0.392095 O\n",
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{
"id": "jvasp-69411",
"created_at": "2022-09-04T14:36:10.708568Z",
"updated_at": "2022-09-04T14:36:10.708597Z",
"structure_string": "Be2 Cu1 Rh1\n1.0\n2.825755 0.000000 -0.000000\n-0.000000 2.825755 0.000000\n-0.000000 0.000000 5.298124\nBe Cu Rh\n2 1 1\ndirect\n0.000000 0.000000 0.007524 Be\n0.499999 0.499999 0.238344 Be\n0.000000 0.000000 0.461422 Cu\n0.499999 0.499999 0.792709 Rh\n",
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{
"id": "jvasp-120584",
"created_at": "2022-09-04T14:38:52.723991Z",
"updated_at": "2022-09-04T14:38:52.724027Z",
"structure_string": "Li1 V6 O7 F5\n1.0\n5.236409 -0.038112 1.903981\n1.240748 5.128240 2.013646\n0.002181 0.097972 7.500519\nLi V O F\n1 6 7 5\ndirect\n0.630345 0.142578 0.363594 Li\n0.277115 0.322668 0.151430 V\n0.658093 0.666032 0.317495 V\n0.016732 0.988765 0.512824 V\n0.331309 0.341065 0.687646 V\n0.673383 0.699623 0.840531 V\n0.023236 0.962774 0.000313 V\n0.310787 0.673284 0.991768 O\n0.229654 0.207988 0.967240 O\n0.629133 0.044067 0.648809 O\n0.379248 0.983363 0.344878 O\n0.932217 0.341374 0.329415 O\n0.758498 0.778591 0.034675 O\n0.045665 0.646019 0.676733 O\n0.588530 0.559204 0.634676 F\n0.393001 0.456097 0.369526 F\n0.924019 0.867645 0.307963 F\n0.083990 0.120656 0.701526 F\n0.698414 0.290239 0.027278 F\n",
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{
"id": "jvasp-29864",
"created_at": "2022-09-04T14:37:10.232355Z",
"updated_at": "2022-09-04T14:37:10.232377Z",
"structure_string": "U2 H4 O8\n1.0\n2.110360 5.121186 -0.000000\n-2.110360 5.121186 -0.000000\n0.000000 -0.000000 6.850082\nU H O\n2 4 8\ndirect\n0.500000 0.500000 0.500000 U\n0.000000 0.000000 0.000000 U\n0.168807 0.168807 0.643427 H\n0.831194 0.831194 0.356572 H\n0.331194 0.331194 0.143428 H\n0.668807 0.668807 0.856572 H\n0.335040 0.335040 0.601403 O\n0.664960 0.664960 0.398597 O\n0.164960 0.164960 0.101403 O\n0.835041 0.835041 0.898597 O\n0.071279 0.071279 0.650032 O\n0.928722 0.928722 0.349967 O\n0.428722 0.428722 0.150033 O\n0.571279 0.571279 0.849967 O\n",
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{
"id": "jvasp-48092",
"created_at": "2022-09-04T14:35:48.537188Z",
"updated_at": "2022-09-04T14:35:48.537208Z",
"structure_string": "Mn6 O8 F4\n1.0\n0.000000 4.602751 -0.000084\n2.980835 0.000000 0.000000\n0.000000 -0.000563 -13.875224\nMn O F\n6 8 4\ndirect\n0.077276 0.000000 0.825700 Mn\n0.000000 0.000000 0.500000 Mn\n0.922724 0.000000 0.174299 Mn\n0.577273 0.499999 0.674295 Mn\n0.422727 0.499999 0.325705 Mn\n0.500000 0.499999 -0.000000 Mn\n0.176642 0.499999 0.433757 O\n0.260672 0.499999 0.767832 O\n0.323362 0.000000 0.933753 O\n0.239331 0.000000 0.267838 O\n0.760670 0.000000 0.732162 O\n0.739328 0.499999 0.232167 O\n0.823358 0.499999 0.566243 O\n0.676639 0.000000 0.066246 O\n0.349395 0.000000 0.607254 F\n0.849402 0.499999 0.892739 F\n0.650605 0.000000 0.392746 F\n0.150598 0.499999 0.107260 F\n",
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{
"id": "jvasp-35086",
"created_at": "2022-09-04T14:37:30.574329Z",
"updated_at": "2022-09-04T14:37:30.574359Z",
"structure_string": "Ta1 Ti2 N3\n1.0\n2.527338 -4.377479 0.000000\n2.527338 4.377479 -0.000000\n0.000000 -0.000000 2.867761\nTa Ti N\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Ta\n0.333333 0.666667 0.500000 Ti\n0.666667 0.333333 0.500000 Ti\n0.000000 0.500000 0.000000 N\n0.500000 0.500000 0.000000 N\n0.500000 0.000000 0.000000 N\n",
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},
{
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"created_at": "2022-09-04T14:36:53.398682Z",
"updated_at": "2022-09-04T14:36:53.398703Z",
"structure_string": "Yb1 Co3 B2\n1.0\n2.566628 -4.445530 0.000000\n2.566628 4.445530 -0.000000\n-0.000000 -0.000000 2.780591\nYb Co B\n1 3 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n0.500000 0.000000 0.500000 Co\n0.666667 0.333333 0.000000 B\n0.333333 0.666667 0.000000 B\n",
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{
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"created_at": "2022-09-04T14:36:18.426890Z",
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"structure_string": "Li4 Mn4 Si4 O16\n1.0\n4.778685 0.000000 0.000000\n0.000000 6.201839 0.000000\n0.000000 0.000000 9.991484\nLi Mn Si O\n4 4 4 16\ndirect\n0.056126 0.006586 0.219081 Li\n0.443873 0.006586 0.719081 Li\n0.556126 0.506586 0.280919 Li\n0.943873 0.506586 0.780919 Li\n0.000002 0.256522 0.499996 Mn\n0.499997 0.256522 -0.000004 Mn\n0.500002 0.756522 0.000004 Mn\n-0.000002 0.756522 0.500004 Mn\n0.906305 0.006521 0.905884 Si\n0.593694 0.006521 0.405884 Si\n0.406305 0.506521 0.594115 Si\n0.093694 0.506521 0.094116 Si\n0.754978 0.229428 0.850288 O\n0.742905 0.506520 0.594594 O\n0.757094 0.506520 0.094594 O\n0.745021 0.229428 0.350288 O\n0.745004 0.783600 0.350304 O\n0.759655 0.006526 0.558870 O\n0.240344 0.506526 0.441129 O\n0.245004 0.283599 0.149696 O\n0.254978 0.729428 0.649711 O\n0.242905 0.006519 0.905406 O\n0.257094 0.006519 0.405406 O\n0.245021 0.729428 0.149712 O\n0.754995 0.783600 0.850304 O\n0.259655 0.506526 0.941129 O\n0.254995 0.283599 0.649696 O\n0.740344 0.006526 0.058871 O\n",
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{
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"structure_string": "Li4 Mn3 Ni1 P4 O16\n1.0\n0.000000 4.731199 -0.001772\n6.060749 0.000000 0.000000\n0.000000 -0.014548 -10.326680\nLi Mn Ni P O\n4 3 1 4 16\ndirect\n0.998430 0.250802 0.005243 Li\n0.998430 0.749198 0.005243 Li\n0.501829 0.747113 0.494139 Li\n0.501829 0.252887 0.494139 Li\n0.029999 0.000000 0.718006 Mn\n0.471539 0.000000 0.221665 Mn\n0.524666 0.500000 0.779367 Mn\n0.973932 0.500000 0.278477 Ni\n0.915570 0.000000 0.407475 P\n0.587699 0.000000 0.909279 P\n0.412063 0.500000 0.097181 P\n0.084473 0.500000 0.586097 P\n0.782003 0.795209 0.337184 O\n0.760882 0.500000 0.591403 O\n0.737066 0.500000 0.101474 O\n0.721860 0.203742 0.838922 O\n0.721860 0.796259 0.838922 O\n0.712267 0.000000 0.048604 O\n0.292174 0.500000 0.956878 O\n0.221007 0.297633 0.657708 O\n0.274000 0.296476 0.166174 O\n0.263704 0.000000 0.906265 O\n0.239821 0.000000 0.406190 O\n0.221007 0.702367 0.657708 O\n0.782003 0.204792 0.337184 O\n0.207853 0.500000 0.446623 O\n0.274000 0.703524 0.166174 O\n0.788029 0.000000 0.546274 O\n",
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]
}