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{
"id": "jvasp-57181",
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"structure_string": "Co1 Sn1 F6\n1.0\n4.573513 0.072422 3.098808\n1.681332 4.253868 3.098808\n0.104706 0.072422 5.523466\nCo Sn F\n1 1 6\ndirect\n0.500000 0.500000 0.500001 Co\n0.000000 0.000000 0.000000 Sn\n0.249402 0.898326 0.604479 F\n0.898326 0.604478 0.249403 F\n0.395521 0.750598 0.101674 F\n0.101674 0.395522 0.750599 F\n0.750598 0.101673 0.395523 F\n0.604478 0.249401 0.898328 F\n",
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{
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{
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"updated_at": "2022-09-04T14:36:44.643995Z",
"structure_string": "Co1 Sn1 C4 Cl3 O4\n1.0\n6.376165 -0.002055 -1.120337\n-1.334865 6.234734 -1.120848\n-0.001147 -0.001934 6.473672\nCo Sn C Cl O\n1 1 4 3 4\ndirect\n0.270842 0.270852 0.270840 Co\n-0.007478 -0.007494 -0.007479 Sn\n0.299386 0.053635 0.406939 C\n0.406976 0.299395 0.053619 C\n0.053622 0.406951 0.299392 C\n0.468380 0.468427 0.468400 C\n0.672169 0.878360 0.105963 Cl\n0.105918 0.672153 0.878356 Cl\n0.878378 0.105911 0.672184 Cl\n0.496812 0.321009 0.917247 O\n0.594920 0.594975 0.594955 O\n0.917247 0.496757 0.321022 O\n0.321015 0.917266 0.496751 O\n",
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"density_atomic": 0.05052273921222027,
"volume": 257.3098807131899,
"volume_molar": 11.919664004566451,
"formula_full": "Co1 Sn1 C4 Cl3 O4",
"formula_reduced": "CoSnC4Cl3O4",
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"spacegroup": 146
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{
"id": "jvasp-122555",
"created_at": "2022-09-04T14:38:51.255972Z",
"updated_at": "2022-09-04T14:38:51.256000Z",
"structure_string": "Co1 Sn7\n1.0\n6.401860 0.000000 -0.000000\n0.000000 6.401860 0.000000\n-0.000000 -0.000000 6.401860\nCo Sn\n1 7\ndirect\n0.000000 0.000000 0.500000 Co\n0.221484 0.221484 0.721484 Sn\n0.000000 0.500000 0.000000 Sn\n0.221484 0.778516 0.278516 Sn\n0.500000 0.000000 0.000000 Sn\n0.778516 0.221484 0.278516 Sn\n0.500000 0.500000 0.500000 Sn\n0.778516 0.778516 0.721484 Sn\n",
"nsites": 8,
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"elements": [
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"density_atomic": 0.03049098606970155,
"volume": 262.37262323075487,
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"formula_full": "Co1 Sn7",
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},
{
"id": "jvasp-117434",
"created_at": "2022-09-04T14:38:26.559963Z",
"updated_at": "2022-09-04T14:38:26.559992Z",
"structure_string": "Co1 Sn3 P4 O16\n1.0\n4.984988 0.047410 -0.000236\n-0.022200 10.009237 -0.000167\n0.000526 0.000098 6.050121\nCo Sn P O\n1 3 4 16\ndirect\n0.105540 0.723050 0.750011 Co\n0.405871 0.217066 0.749982 Sn\n0.599363 0.783235 0.250001 Sn\n0.903348 0.288306 0.249942 Sn\n0.168031 0.599685 0.250023 P\n0.383589 0.072027 0.250000 P\n0.631402 0.911938 0.749999 P\n0.815142 0.417308 0.749980 P\n0.638984 0.355850 0.555808 O\n0.859624 0.625391 0.249996 O\n0.685471 0.079608 0.250016 O\n0.782298 0.843679 0.951910 O\n0.782291 0.843678 0.548080 O\n0.691119 0.065464 0.749997 O\n0.297094 0.923899 0.250009 O\n0.094770 0.349114 0.750049 O\n0.248918 0.144911 0.045561 O\n0.332275 0.888997 0.750015 O\n0.638878 0.355884 0.944130 O\n0.308390 0.673444 0.451192 O\n0.308414 0.673422 0.048833 O\n0.226061 0.452546 0.250069 O\n0.248879 0.144928 0.454421 O\n0.844261 0.566573 0.749963 O\n",
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"elements": [
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],
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"density_atomic": 0.0795010617211666,
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"formula_full": "Co1 Sn3 P4 O16",
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{
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"created_at": "2022-09-04T14:37:55.873545Z",
"updated_at": "2022-09-04T14:37:55.873571Z",
"structure_string": "Co1 Sn2 H12 O6 F6\n1.0\n6.146463 -0.023640 2.214333\n0.790788 6.910172 1.626801\n0.174235 0.113491 6.909515\nCo Sn H O F\n1 2 12 6 6\ndirect\n0.000000 0.000000 0.000000 Co\n0.351229 0.371657 0.323850 Sn\n0.648770 0.628342 0.676150 Sn\n0.886227 0.262882 0.253347 H\n0.274412 0.271003 0.899324 H\n0.345516 0.818171 0.092342 H\n0.725587 0.728996 0.100676 H\n0.758116 0.032489 0.745742 H\n0.754829 0.075794 0.370844 H\n0.083335 0.363981 0.800989 H\n0.654483 0.181829 0.907658 H\n0.916664 0.636018 0.199011 H\n0.245170 0.924205 0.629157 H\n0.241883 0.967511 0.254259 H\n0.113772 0.737117 0.746654 H\n0.821586 0.758214 0.171041 O\n0.178413 0.241785 0.828960 O\n0.207569 0.892951 0.166999 O\n0.204279 0.826113 0.764910 O\n0.795720 0.173887 0.235090 O\n0.792430 0.107049 0.833002 O\n0.700393 0.926515 0.595961 F\n0.030047 0.421247 0.287182 F\n0.969952 0.578752 0.712819 F\n0.440894 0.321841 0.006411 F\n0.559105 0.678159 0.993589 F\n0.299606 0.073485 0.404040 F\n",
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"elements": [
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"density_atomic": 0.09310698453988309,
"volume": 289.98898561078784,
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"formula_full": "Co1 Sn2 H12 O6 F6",
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},
{
"id": "jvasp-17615",
"created_at": "2022-09-04T14:37:36.101748Z",
"updated_at": "2022-09-04T14:37:36.101768Z",
"structure_string": "Co2 Sn4\n1.0\n5.090218 0.018112 -1.431610\n-2.917180 4.171416 -1.431610\n-0.009395 -0.018112 5.287697\nCo Sn\n2 4\ndirect\n0.750000 0.750000 0.000000 Co\n0.250000 0.250000 0.000000 Co\n0.333705 0.166296 0.500001 Sn\n0.833705 0.333705 0.167409 Sn\n0.666296 0.833706 0.500001 Sn\n0.166297 0.666296 0.832593 Sn\n",
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},
{
"id": "jvasp-17740",
"created_at": "2022-09-04T14:38:31.550135Z",
"updated_at": "2022-09-04T14:38:31.550168Z",
"structure_string": "Co3 Sn3\n1.0\n2.649993 -4.589923 0.000000\n2.649993 4.589923 0.000000\n-0.000000 -0.000000 4.227131\nCo Sn\n3 3\ndirect\n0.499999 0.499999 0.000000 Co\n-0.000000 0.500000 0.000000 Co\n0.500000 -0.000000 0.000000 Co\n0.333333 0.666666 0.500000 Sn\n0.666666 0.333333 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n",
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},
{
"id": "jvasp-94899",
"created_at": "2022-09-04T14:36:31.166581Z",
"updated_at": "2022-09-04T14:36:31.166610Z",
"structure_string": "Co1 Si2 Se4\n1.0\n0.000000 3.612856 0.000000\n0.051102 0.000000 6.265064\n5.967215 -1.806428 -2.898214\nCo Si Se\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Co\n0.723402 0.705447 0.446803 Si\n0.276597 0.294553 0.553196 Si\n0.617789 0.973270 0.235576 Se\n0.382211 0.026729 0.764422 Se\n0.886781 0.566723 0.773561 Se\n0.113218 0.433276 0.226438 Se\n",
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},
{
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"created_at": "2022-09-04T14:37:27.491114Z",
"updated_at": "2022-09-04T14:37:27.491140Z",
"structure_string": "Co2 Si4 O12\n1.0\n5.282856 0.029188 0.027630\n1.640624 6.078427 0.010410\n1.641156 0.242817 6.073447\nCo Si O\n2 4 12\ndirect\n0.753695 0.585855 0.915131 Co\n0.253694 0.415841 0.085144 Co\n0.755180 0.106713 0.789862 Si\n0.252227 0.894985 0.210410 Si\n0.752219 0.711126 0.394274 Si\n0.255170 0.290575 0.606003 Si\n0.049018 0.132572 0.645930 O\n0.958406 0.869097 0.354364 O\n0.639695 0.310830 0.971495 O\n0.718773 0.582839 0.633920 O\n0.139689 0.472207 0.810121 O\n0.867696 0.529494 0.190155 O\n0.549002 0.146635 0.631882 O\n0.367700 0.690865 0.028782 O\n0.788606 0.867069 0.918150 O\n0.458388 0.855072 0.368404 O\n0.218748 0.134637 0.082142 O\n0.288631 0.418842 0.366351 O\n",
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{
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"formula_full": "Co2 Si4 O12",
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"spacegroup": 15
},
{
"id": "jvasp-112690",
"created_at": "2022-09-04T14:38:43.298233Z",
"updated_at": "2022-09-04T14:38:43.298258Z",
"structure_string": "Co4 Si4 Mo4\n1.0\n4.773287 -0.002709 0.000000\n-2.309073 4.177614 0.000000\n-0.000000 -0.000000 7.439089\nCo Si Mo\n4 4 4\ndirect\n0.002617 0.997382 0.262030 Co\n0.002617 0.997382 0.737970 Co\n0.160441 0.351585 -0.000000 Co\n0.648415 0.839558 -0.000000 Co\n0.159823 0.840177 -0.000000 Si\n0.834563 0.657401 0.500000 Si\n0.342598 0.165438 0.500000 Si\n0.833101 0.166899 0.500000 Si\n0.337769 0.662231 0.683624 Mo\n0.670137 0.329863 0.814535 Mo\n0.670137 0.329863 0.185465 Mo\n0.337769 0.662231 0.316376 Mo\n",
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],
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"density": 8.194694843514878,
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"volume": 148.29597266191473,
"volume_molar": 7.442160179259687,
"formula_full": "Co4 Si4 Mo4",
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]
}