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{
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{
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{
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"structure_string": "V4 H24 S4 O32\n1.0\n7.497156 0.000000 0.000000\n0.000000 7.475835 0.000000\n0.000000 4.001889 11.612376\nV H S O\n4 24 4 32\ndirect\n0.782288 0.694035 0.374149 V\n0.717712 0.694035 0.874149 V\n0.217712 0.305965 0.625851 V\n0.282288 0.305965 0.125851 V\n0.657722 0.821727 0.558002 H\n0.842278 0.821727 0.058002 H\n0.342278 0.178273 0.441998 H\n0.157722 0.178273 0.941998 H\n0.484527 0.810872 0.486326 H\n0.015473 0.810872 0.986326 H\n0.515473 0.189128 0.513674 H\n0.984527 0.189128 0.013674 H\n0.495403 0.481861 0.371173 H\n0.004597 0.481861 0.871173 H\n0.504597 0.518139 0.628827 H\n0.995403 0.518139 0.128827 H\n0.014490 0.658600 0.753368 H\n0.485510 0.658600 0.253368 H\n0.985510 0.341400 0.246632 H\n0.514490 0.341400 0.746632 H\n0.726839 0.019710 0.207733 H\n0.773161 0.019710 0.707733 H\n0.273161 0.980290 0.792267 H\n0.226839 0.980290 0.292267 H\n0.752503 0.063879 0.326045 H\n0.747497 0.063879 0.826045 H\n0.247497 0.936121 0.673955 H\n0.252503 0.936121 0.173955 H\n0.858849 0.241394 0.487298 S\n0.641151 0.241394 0.987298 S\n0.141151 0.758606 0.512702 S\n0.358849 0.758606 0.012702 S\n0.908619 0.674192 0.271559 O\n0.591381 0.674192 0.771559 O\n0.091381 0.325808 0.728441 O\n0.408619 0.325808 0.228441 O\n0.599059 0.746031 0.516289 O\n0.900941 0.746031 0.016289 O\n0.400941 0.253969 0.483711 O\n0.099059 0.253969 0.983711 O\n0.540043 0.611446 0.331351 O\n0.959957 0.611446 0.831351 O\n0.459957 0.388554 0.668649 O\n0.040043 0.388554 0.168649 O\n0.702223 0.970218 0.292284 O\n0.797777 0.970218 0.792284 O\n0.297777 0.029782 0.707716 O\n0.202223 0.029782 0.207716 O\n0.956689 0.799842 0.465100 O\n0.543311 0.799842 0.965100 O\n0.043311 0.200158 0.534900 O\n0.456689 0.200158 0.034900 O\n0.800890 0.430573 0.492554 O\n0.699110 0.430573 0.992554 O\n0.199110 0.569427 0.507446 O\n0.300890 0.569427 0.007446 O\n0.733140 0.097084 0.560260 O\n0.766860 0.097084 0.060260 O\n0.266860 0.902916 0.439740 O\n0.233140 0.902916 0.939740 O\n0.856911 0.236951 0.367873 O\n0.643089 0.236951 0.867873 O\n0.143089 0.763049 0.632127 O\n0.356911 0.763049 0.132127 O\n",
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"formula_full": "V4 H24 S4 O32",
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{
"id": "mp-567437",
"created_at": "2022-09-04T14:39:09.514759Z",
"structure_string": "Pd4 Se32 Cl8\n1.0\n9.215110 0.000000 0.000000\n0.000000 10.260848 0.000000\n0.000000 0.000000 14.468399\nPd Se Cl\n4 32 8\ndirect\n0.500000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 Pd\n0.000000 0.500000 0.000000 Pd\n0.000000 0.000000 0.500000 Pd\n0.305175 0.030963 0.886592 Se\n0.130224 0.153732 0.972901 Se\n0.923209 0.622922 0.622476 Se\n0.194825 0.530963 0.113408 Se\n0.576791 0.122922 0.377524 Se\n0.869776 0.846268 0.027099 Se\n0.369776 0.653732 0.027099 Se\n0.694825 0.969037 0.113408 Se\n0.087774 0.194249 0.282353 Se\n0.194825 0.030963 0.386592 Se\n0.923209 0.122922 0.877524 Se\n0.305175 0.530963 0.613408 Se\n0.912226 0.805751 0.717647 Se\n0.630224 0.346268 0.972901 Se\n0.412226 0.194249 0.782353 Se\n0.869776 0.346268 0.472901 Se\n0.805175 0.969037 0.613408 Se\n0.412226 0.694249 0.717647 Se\n0.912226 0.305751 0.782353 Se\n0.076791 0.377078 0.377524 Se\n0.423209 0.877078 0.622476 Se\n0.576791 0.622922 0.122476 Se\n0.694825 0.469037 0.386592 Se\n0.587774 0.305751 0.282353 Se\n0.423209 0.377078 0.877524 Se\n0.087774 0.694249 0.217647 Se\n0.076791 0.877078 0.122476 Se\n0.369776 0.153732 0.472901 Se\n0.130224 0.653732 0.527099 Se\n0.805175 0.469037 0.886592 Se\n0.630224 0.846268 0.527099 Se\n0.587774 0.805751 0.217647 Se\n0.908775 0.344521 0.102487 Cl\n0.908775 0.844521 0.397513 Cl\n0.091225 0.155479 0.602487 Cl\n0.408775 0.155479 0.102487 Cl\n0.591225 0.344521 0.602487 Cl\n0.091225 0.655479 0.897513 Cl\n0.408775 0.655479 0.397513 Cl\n0.591225 0.844521 0.897513 Cl\n",
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{
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"structure_string": "Ca6 Sn26 Rh8\n1.0\n9.843130 0.000000 0.000000\n0.000000 9.843130 0.000000\n0.000000 0.000000 9.843130\nCa Sn Rh\n6 26 8\ndirect\n0.250000 0.500000 0.000000 Ca\n0.750000 0.500000 0.000000 Ca\n0.500000 0.000000 0.250000 Ca\n0.500000 0.000000 0.750000 Ca\n0.000000 0.750000 0.500000 Ca\n0.000000 0.250000 0.500000 Ca\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500000 Sn\n0.000000 0.303947 0.153353 Sn\n0.500000 0.346647 0.803947 Sn\n0.500000 0.653353 0.196053 Sn\n0.653353 0.803947 0.500000 Sn\n0.346647 0.803947 0.500000 Sn\n0.196053 0.500000 0.653353 Sn\n0.803947 0.500000 0.653353 Sn\n0.153353 0.000000 0.303947 Sn\n0.303947 0.153353 0.000000 Sn\n0.696053 0.846647 0.000000 Sn\n0.153353 0.000000 0.696053 Sn\n0.696053 0.153353 0.000000 Sn\n0.846647 0.000000 0.303947 Sn\n0.846647 0.000000 0.696053 Sn\n0.303947 0.846647 0.000000 Sn\n0.000000 0.696053 0.846647 Sn\n0.000000 0.303947 0.846647 Sn\n0.000000 0.696053 0.153353 Sn\n0.803947 0.500000 0.346647 Sn\n0.196053 0.500000 0.346647 Sn\n0.653353 0.196053 0.500000 Sn\n0.346647 0.196053 0.500000 Sn\n0.500000 0.653353 0.803947 Sn\n0.500000 0.346647 0.196053 Sn\n0.250000 0.250000 0.250000 Rh\n0.750000 0.250000 0.750000 Rh\n0.750000 0.750000 0.250000 Rh\n0.250000 0.750000 0.750000 Rh\n0.750000 0.750000 0.750000 Rh\n0.250000 0.750000 0.250000 Rh\n0.250000 0.250000 0.750000 Rh\n0.750000 0.250000 0.250000 Rh\n",
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},
{
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"structure_string": "K3 Re1 H6\n1.0\n0.000000 4.327122 4.327122\n4.327122 0.000000 4.327122\n4.327122 4.327122 0.000000\nK Re H\n3 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Re\n0.793568 0.793568 0.206432 H\n0.206432 0.793568 0.206432 H\n0.793568 0.206432 0.206432 H\n0.206432 0.206432 0.793568 H\n0.793568 0.206432 0.793568 H\n0.206432 0.793568 0.793568 H\n",
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},
{
"id": "mp-697981",
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"structure_string": "Cd12 H8 C4 Se4 O32\n1.0\n6.689342 0.000000 0.000000\n0.000000 10.574441 0.000000\n0.000000 0.000000 10.650920\nCd H C Se O\n12 8 4 4 32\ndirect\n0.529538 0.332571 0.545495 Cd\n0.029538 0.167429 0.954505 Cd\n0.470462 0.667429 0.045495 Cd\n0.970462 0.832571 0.454505 Cd\n0.470462 0.667429 0.454505 Cd\n0.970462 0.832571 0.045495 Cd\n0.529538 0.332571 0.954505 Cd\n0.029538 0.167429 0.545495 Cd\n0.748798 0.126487 0.250000 Cd\n0.248798 0.373513 0.250000 Cd\n0.251202 0.873513 0.750000 Cd\n0.751202 0.626487 0.750000 Cd\n0.642140 0.096475 0.489878 H\n0.142140 0.403525 0.010122 H\n0.357860 0.903525 0.989878 H\n0.857860 0.596475 0.510122 H\n0.357860 0.903525 0.510122 H\n0.857860 0.596475 0.989878 H\n0.642140 0.096475 0.010122 H\n0.142140 0.403525 0.489878 H\n0.374529 0.148244 0.750000 C\n0.874529 0.351756 0.750000 C\n0.625471 0.851756 0.250000 C\n0.125471 0.648244 0.250000 C\n0.247622 0.025593 0.250000 Se\n0.747622 0.474407 0.250000 Se\n0.752378 0.974407 0.750000 Se\n0.252378 0.525593 0.750000 Se\n0.381007 0.164409 0.250000 O\n0.881007 0.335591 0.250000 O\n0.618993 0.835591 0.750000 O\n0.118993 0.664409 0.750000 O\n0.073846 0.039917 0.128881 O\n0.573846 0.460083 0.371119 O\n0.926154 0.960083 0.628881 O\n0.426154 0.539917 0.871119 O\n0.926154 0.960083 0.871119 O\n0.426154 0.539917 0.628881 O\n0.073846 0.039917 0.371119 O\n0.573846 0.460083 0.128881 O\n0.452841 0.261745 0.750000 O\n0.952841 0.238255 0.750000 O\n0.547159 0.738255 0.250000 O\n0.047159 0.761745 0.250000 O\n0.710588 0.173490 0.462821 O\n0.210588 0.326510 0.037179 O\n0.289412 0.826510 0.962821 O\n0.789412 0.673490 0.537179 O\n0.289412 0.826510 0.537179 O\n0.789412 0.673490 0.962821 O\n0.710588 0.173490 0.037179 O\n0.210588 0.326510 0.462821 O\n0.338047 0.091779 0.644121 O\n0.838047 0.408221 0.855879 O\n0.661953 0.908221 0.144121 O\n0.161953 0.591779 0.355879 O\n0.661953 0.908221 0.355879 O\n0.161953 0.591779 0.144121 O\n0.338047 0.091779 0.855879 O\n0.838047 0.408221 0.644121 O\n",
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"formula_full": "Cd12 H8 C4 Se4 O32",
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{
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