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{
"id": "jvasp-48433",
"created_at": "2022-09-04T14:35:55.967068Z",
"updated_at": "2022-09-04T14:35:55.967090Z",
"structure_string": "Li6 Co2 O4 F2\n1.0\n5.428876 0.223794 -0.041682\n0.581716 5.137766 -0.003396\n0.273759 2.566987 5.060333\nLi Co O F\n6 2 4 2\ndirect\n0.883703 0.243630 0.368483 Li\n0.841010 0.837133 0.974799 Li\n0.579647 0.001388 0.287287 Li\n0.420354 -0.001389 0.712713 Li\n0.158991 0.162868 0.025200 Li\n0.116298 0.756370 0.631516 Li\n0.642128 0.524566 0.658288 Co\n0.357873 0.475435 0.341711 Co\n0.757380 0.866153 0.639424 O\n0.668958 0.619386 0.282542 O\n0.331044 0.380615 0.717457 O\n0.242621 0.133848 0.360575 O\n0.810782 0.201391 0.037144 F\n0.189220 0.798609 -0.037144 F\n",
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{
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"structure_string": "Li2 Mn4 O2 F6\n1.0\n-4.411349 4.411349 -0.000000\n4.417062 0.005713 4.417062\n4.417062 4.417062 0.005713\nLi Mn O F\n2 4 2 6\ndirect\n0.501607 0.003213 0.501607 Li\n0.858042 0.716084 0.858042 Li\n0.503107 0.006212 0.990341 Mn\n0.144923 0.289847 0.144923 Mn\n0.503107 0.493447 0.503107 Mn\n0.990341 0.493447 0.503107 Mn\n0.729255 0.458511 0.729255 O\n0.273618 0.547236 0.273618 O\n0.736856 0.473712 0.250985 F\n0.736856 0.987840 0.736856 F\n0.250984 0.987840 0.736856 F\n0.741756 0.006529 0.264774 F\n0.264774 0.006529 0.264774 F\n0.264773 0.529547 0.741756 F\n",
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{
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"updated_at": "2022-09-04T14:37:06.200992Z",
"structure_string": "K2 Na4 B2 O6\n1.0\n5.582349 0.000000 0.000000\n0.000000 5.611800 0.000000\n0.000000 0.000000 6.006990\nK Na B O\n2 4 2 6\ndirect\n0.918858 0.500000 0.000000 K\n0.081142 0.000000 0.500000 K\n0.373870 0.500000 0.270242 Na\n0.373870 0.500000 0.729758 Na\n0.626131 0.000000 0.229758 Na\n0.626131 0.000000 0.770242 Na\n0.796537 0.500000 0.500000 B\n0.203463 0.000000 0.000000 B\n0.665460 0.287069 0.500000 O\n0.334541 0.212931 0.000000 O\n0.044813 0.500000 0.500000 O\n0.955188 0.000000 0.000000 O\n0.334541 0.787069 0.000000 O\n0.665460 0.712931 0.500000 O\n",
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{
"id": "jvasp-18384",
"created_at": "2022-09-04T14:38:11.627815Z",
"updated_at": "2022-09-04T14:38:11.627831Z",
"structure_string": "Li1 Ce2 H1 O3\n1.0\n3.363795 0.000000 -0.887909\n-0.264061 3.556322 -1.000381\n-0.006508 -0.018845 6.791075\nLi Ce H O\n1 2 1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.361700 0.361700 0.723402 Ce\n0.638298 0.638298 0.276597 Ce\n0.499999 -0.000000 -0.000000 H\n0.000000 0.500000 0.000000 O\n0.824094 0.824094 0.648189 O\n0.175905 0.175904 0.351809 O\n",
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{
"id": "jvasp-9499",
"created_at": "2022-09-04T14:37:12.686381Z",
"updated_at": "2022-09-04T14:37:12.686413Z",
"structure_string": "Sr4 Cr2 S2 O6\n1.0\n3.931232 -0.000000 -0.000000\n-0.000000 3.931232 -0.000000\n-0.000000 0.000000 13.658643\nSr Cr S O\n4 2 2 6\ndirect\n0.000000 0.000000 0.864693 Sr\n0.500000 0.500000 0.135307 Sr\n0.000000 0.000000 0.598260 Sr\n0.500000 0.500000 0.401740 Sr\n0.500000 0.500000 0.723917 Cr\n0.000000 0.000000 0.276082 Cr\n0.500000 0.500000 0.907234 S\n0.000000 0.000000 0.092765 S\n0.500000 0.000000 0.726521 O\n0.000000 0.500000 0.726521 O\n0.000000 0.500000 0.273479 O\n0.500000 0.000000 0.273479 O\n0.500000 0.500000 0.583194 O\n0.000000 0.000000 0.416806 O\n",
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"volume": 211.0886597447795,
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"formula_full": "Sr4 Cr2 S2 O6",
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{
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"created_at": "2022-09-04T14:37:48.944988Z",
"updated_at": "2022-09-04T14:37:48.945010Z",
"structure_string": "Ba4 In2 Br2 O6\n1.0\n4.289246 -0.000000 -0.000000\n0.000000 4.289246 0.000000\n0.000000 0.000000 15.603923\nBa In Br O\n4 2 2 6\ndirect\n0.500000 0.000000 0.658137 Ba\n0.000000 0.500000 0.341863 Ba\n0.000000 0.500000 0.092741 Ba\n0.500000 0.000000 0.907259 Ba\n0.500000 0.000000 0.207386 In\n0.000000 0.500000 0.792613 In\n0.000000 0.500000 0.574417 Br\n0.500000 0.000000 0.425583 Br\n0.500000 0.500000 0.769388 O\n0.000000 0.000000 0.769388 O\n0.500000 0.500000 0.230612 O\n0.000000 0.500000 0.927650 O\n0.000000 0.000000 0.230612 O\n0.500000 0.000000 0.072350 O\n",
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"density_atomic": 0.04876770601270952,
"volume": 287.0752213842376,
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"formula_full": "Ba4 In2 Br2 O6",
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"formula_anonymous": "ABC2D3",
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"spacegroup": 129
},
{
"id": "jvasp-25577",
"created_at": "2022-09-04T14:37:48.868938Z",
"updated_at": "2022-09-04T14:37:48.868959Z",
"structure_string": "K4 Li2 B2 O6\n1.0\n5.234475 -0.008878 0.970338\n1.709895 4.947329 0.970338\n0.027049 0.019236 7.336679\nK Li B O\n4 2 2 6\ndirect\n0.840388 0.507740 0.323393 K\n0.164360 0.835641 0.500000 K\n0.999553 0.000448 0.000000 K\n0.492261 0.159614 0.676608 K\n0.269301 0.460058 0.967381 Li\n0.539944 0.730700 0.032619 Li\n0.489884 0.213104 0.217224 B\n0.786898 0.510117 0.782776 B\n0.369916 0.495713 0.212617 O\n0.504288 0.630086 0.787384 O\n0.676966 0.060074 0.335283 O\n0.905465 0.577939 0.914630 O\n0.422063 0.094536 0.085370 O\n0.939928 0.323035 0.664717 O\n",
"nsites": 14,
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"volume": 189.91105707696184,
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"formula_full": "K4 Li2 B2 O6",
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{
"id": "jvasp-99985",
"created_at": "2022-09-04T14:36:51.236985Z",
"updated_at": "2022-09-04T14:36:51.237015Z",
"structure_string": "In2 Cu1 Se3 Br1\n1.0\n5.297484 -0.010121 -2.260409\n-1.074294 5.210191 -2.367785\n0.026828 0.003878 7.096945\nIn Cu Se Br\n2 1 3 1\ndirect\n0.254044 0.760208 0.468098 In\n0.964979 0.024697 0.009051 In\n0.549979 0.457577 0.030730 Cu\n0.825093 0.877352 0.257133 Se\n0.405795 0.350200 0.263558 Se\n0.630420 0.161200 0.724860 Se\n0.119689 0.618770 0.746569 Br\n",
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},
{
"id": "jvasp-104108",
"created_at": "2022-09-04T14:36:45.211648Z",
"updated_at": "2022-09-04T14:36:45.211670Z",
"structure_string": "H6 C4 N2 O2\n1.0\n3.649728 0.000000 -1.207453\n0.000000 6.906169 0.000000\n-0.169025 0.000000 4.477735\nH C N O\n6 4 2 2\ndirect\n0.293989 0.842976 0.774293 H\n0.706010 0.342976 0.225709 H\n0.865891 0.041770 0.156676 H\n0.134109 0.541770 0.843326 H\n0.355833 0.034293 0.304952 H\n0.644166 0.534293 0.695050 H\n0.109418 0.037678 0.375325 C\n0.890581 0.537678 0.624676 C\n0.137593 0.216457 0.581030 C\n0.862406 0.716457 0.418972 C\n0.095244 0.862716 0.553086 N\n0.904755 0.362716 0.446916 N\n0.373557 0.222110 0.856652 O\n0.626442 0.722110 0.143349 O\n",
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"volume": 111.45469087722165,
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"formula_full": "H6 C4 N2 O2",
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"spacegroup": 4
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{
"id": "jvasp-48540",
"created_at": "2022-09-04T14:36:47.035900Z",
"updated_at": "2022-09-04T14:36:47.035917Z",
"structure_string": "Li2 Co4 O2 F6\n1.0\n0.000000 4.176676 4.176676\n4.256615 0.021204 4.155470\n4.374775 4.280300 -0.103625\nLi Co O F\n2 4 2 6\ndirect\n0.625001 0.125000 0.624999 Li\n0.625000 0.625001 0.125000 Li\n0.985832 0.962394 0.065942 Co\n0.264168 0.287608 0.184058 Co\n0.125000 0.625001 0.624999 Co\n0.625001 0.625001 0.624999 Co\n0.386425 0.410327 0.816825 O\n0.863576 0.839675 0.433174 O\n0.388540 0.377956 0.371916 F\n0.861590 0.377956 0.371916 F\n0.391327 0.871794 0.345554 F\n0.858674 0.378208 0.904445 F\n0.388411 0.872046 0.878083 F\n0.861461 0.872046 0.878083 F\n",
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{
"id": "jvasp-116711",
"created_at": "2022-09-04T14:38:51.227218Z",
"updated_at": "2022-09-04T14:38:51.227243Z",
"structure_string": "Ce9 Se6 N3 O3\n1.0\n12.395878 0.005059 1.153687\n11.745273 3.963128 1.153687\n-0.007940 -0.001305 9.342250\nCe Se N O\n9 6 3 3\ndirect\n0.461716 0.461715 0.678889 Ce\n0.539075 0.539075 0.320461 Ce\n0.090046 0.090045 0.649246 Ce\n0.907699 0.907700 0.351036 Ce\n0.187626 0.187626 0.008060 Ce\n0.812725 0.812724 0.991808 Ce\n0.000355 0.000352 0.995154 Ce\n0.280136 0.280134 0.662312 Ce\n0.719771 0.719772 0.338103 Ce\n0.689397 0.689397 0.676168 Se\n0.310429 0.310429 0.326359 Se\n0.588826 0.588825 0.974200 Se\n0.867359 0.867359 0.671203 Se\n0.132321 0.132320 0.327053 Se\n0.411945 0.411946 0.034571 Se\n0.277029 0.277027 0.900181 N\n0.723691 0.723692 0.100355 N\n0.001327 0.001325 0.755821 N\n0.552596 0.552595 0.563234 O\n0.447397 0.447397 0.429073 O\n0.998538 0.998539 0.246720 O\n",
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{
"id": "jvasp-116820",
"created_at": "2022-09-04T14:38:49.854776Z",
"updated_at": "2022-09-04T14:38:49.854787Z",
"structure_string": "Li8 V4 O4 F12\n1.0\n5.862072 -0.004363 0.000000\n-0.154895 8.459350 0.000021\n-0.000013 0.000000 5.817730\nLi V O F\n8 4 4 12\ndirect\n0.506896 -0.001320 0.500000 Li\n0.006836 0.498711 -0.000000 Li\n0.999006 0.007418 0.500000 Li\n0.498957 0.507400 -0.000000 Li\n0.219983 0.117100 -0.000000 Li\n0.720007 0.617103 0.500000 Li\n0.275742 0.371290 0.500000 Li\n0.775737 0.871288 -0.000001 Li\n0.245815 0.749995 0.738918 V\n0.245816 0.749995 0.261082 V\n0.745810 0.249996 0.238919 V\n0.745810 0.249996 0.761080 V\n0.470806 0.757527 0.500000 O\n0.970798 0.257539 0.000001 O\n0.052599 0.745980 0.000000 O\n0.552599 0.245968 0.499999 O\n0.992472 0.245945 0.500001 F\n0.492471 0.745935 0.000000 F\n0.491152 0.254607 -0.000001 F\n-0.008844 0.754619 0.499999 F\n0.755461 0.011712 0.743636 F\n0.255426 0.511712 0.243641 F\n0.755459 0.011712 0.256363 F\n0.255425 0.511712 0.756359 F\n0.744426 0.489017 0.232717 F\n0.244450 0.989014 0.732715 F\n0.744426 0.489017 0.767284 F\n0.244448 0.989015 0.267285 F\n",
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}
]
}