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{
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{
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{
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{
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"structure_string": "Cr14 Se20\n1.0\n1.832130 29.808168 0.000000\n-1.832130 29.808168 0.000000\n0.000000 0.534555 6.348052\nCr Se\n14 20\ndirect\n0.050092 0.050092 0.933160 Cr\n0.651908 0.651908 0.327518 Cr\n0.252130 0.252130 0.727344 Cr\n0.852391 0.852391 0.127394 Cr\n0.452872 0.452872 0.530375 Cr\n0.547128 0.547128 0.469625 Cr\n0.147609 0.147609 0.872606 Cr\n0.747870 0.747870 0.272656 Cr\n0.348092 0.348092 0.672482 Cr\n0.949908 0.949908 0.066840 Cr\n0.599067 0.599067 0.404948 Cr\n0.199926 0.199926 0.800294 Cr\n0.800074 0.800074 0.199706 Cr\n0.400933 0.400933 0.595052 Cr\n0.074294 0.074294 0.266218 Se\n0.673442 0.673442 0.667885 Se\n0.273368 0.273368 0.068156 Se\n0.873385 0.873385 0.468431 Se\n0.471623 0.471623 0.868249 Se\n0.528377 0.528377 0.131751 Se\n0.126615 0.126615 0.531569 Se\n0.726632 0.726632 0.931844 Se\n0.326558 0.326558 0.332115 Se\n0.925706 0.925706 0.733782 Se\n0.024968 0.024968 0.642449 Se\n0.624306 0.624306 0.046339 Se\n0.224351 0.224351 0.444823 Se\n0.824492 0.824492 0.844974 Se\n0.424899 0.424899 0.244042 Se\n0.575101 0.575101 0.755958 Se\n0.175508 0.175508 0.155026 Se\n0.775649 0.775649 0.555177 Se\n0.375694 0.375694 0.953661 Se\n0.975032 0.975032 0.357551 Se\n",
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{
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{
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"structure_string": "Ca8 Mn8 Si16 O48\n1.0\n5.485102 0.000000 0.000000\n0.000000 9.831449 0.000000\n0.000000 0.000000 19.229276\nCa Mn Si O\n8 8 16 48\ndirect\n0.611862 0.145085 0.377443 Ca\n0.388138 0.854915 0.622557 Ca\n0.611862 0.645085 0.122557 Ca\n0.111862 0.854915 0.122557 Ca\n0.888138 0.145085 0.877443 Ca\n0.388138 0.354915 0.877443 Ca\n0.111862 0.354915 0.377443 Ca\n0.888138 0.645085 0.622557 Ca\n0.385680 0.989473 0.873062 Mn\n0.614320 0.010527 0.126938 Mn\n0.885680 0.010527 0.626938 Mn\n0.114320 0.989473 0.373062 Mn\n0.385680 0.489473 0.626938 Mn\n0.614320 0.510527 0.373062 Mn\n0.885680 0.510527 0.873062 Mn\n0.114320 0.489473 0.126938 Mn\n0.557381 0.666022 0.773292 Si\n0.741216 0.831878 0.475377 Si\n0.758784 0.831878 0.975377 Si\n0.942619 0.166022 0.226708 Si\n0.057381 0.333978 0.726708 Si\n0.442619 0.833978 0.273292 Si\n0.241216 0.668122 0.475377 Si\n0.741216 0.331878 0.024623 Si\n0.758784 0.331878 0.524623 Si\n0.942619 0.666022 0.273292 Si\n0.442619 0.333978 0.226708 Si\n0.557381 0.166022 0.726708 Si\n0.258784 0.168122 0.524623 Si\n0.057381 0.833978 0.773292 Si\n0.258784 0.668122 0.975377 Si\n0.241216 0.168122 0.024623 Si\n0.927156 0.521554 0.313407 O\n0.306852 0.032791 0.068289 O\n0.072844 0.478446 0.686593 O\n0.745448 0.346771 0.939600 O\n0.245448 0.153229 0.939600 O\n0.955598 0.216183 0.045616 O\n0.957596 0.657034 0.188445 O\n0.042404 0.842966 0.688445 O\n0.745448 0.846771 0.560400 O\n0.957596 0.157034 0.311555 O\n0.427156 0.478446 0.186593 O\n0.754552 0.346771 0.439600 O\n0.693148 0.967209 0.931711 O\n0.457596 0.842966 0.188445 O\n0.572844 0.021554 0.686593 O\n0.306852 0.532791 0.431711 O\n0.427156 0.978446 0.313407 O\n0.181228 0.758847 0.298887 O\n0.318772 0.758847 0.798887 O\n0.544402 0.716183 0.954384 O\n0.754552 0.846771 0.060400 O\n0.542404 0.657034 0.688445 O\n0.806852 0.467209 0.068289 O\n0.181228 0.258847 0.201113 O\n0.254552 0.153229 0.439600 O\n0.542404 0.157034 0.811555 O\n0.693148 0.467209 0.568289 O\n0.245448 0.653229 0.560400 O\n0.193148 0.532791 0.931711 O\n0.681228 0.741153 0.298887 O\n0.072844 0.978446 0.813407 O\n0.818772 0.741153 0.798887 O\n0.818772 0.241153 0.701113 O\n0.806852 0.967209 0.431711 O\n0.254552 0.653229 0.060400 O\n0.193148 0.032791 0.568289 O\n0.318772 0.258847 0.701113 O\n0.044402 0.783817 0.954384 O\n0.455598 0.783817 0.454384 O\n0.681228 0.241153 0.201113 O\n0.455598 0.283817 0.045616 O\n0.544402 0.216183 0.545616 O\n0.044402 0.283817 0.545616 O\n0.457596 0.342966 0.311555 O\n0.572844 0.521554 0.813407 O\n0.955598 0.716183 0.454384 O\n0.042404 0.342966 0.811555 O\n0.927156 0.021554 0.186593 O\n",
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],
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"volume": 1036.9675632284907,
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"formula_full": "Ca8 Mn8 Si16 O48",
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{
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"created_at": "2022-09-04T14:46:37.003269Z",
"structure_string": "Ho3 Ga9 Ru3\n1.0\n6.414601 0.000000 0.000000\n0.000000 6.414601 0.000000\n0.000000 0.000000 6.414601\nHo Ga Ru\n3 9 3\ndirect\n0.500000 0.500000 0.000000 Ho\n0.500000 0.000000 0.500000 Ho\n0.000000 0.500000 0.500000 Ho\n0.500000 0.500000 0.500000 Ga\n0.211198 0.211198 0.788802 Ga\n0.211198 0.788802 0.211198 Ga\n0.788802 0.211198 0.211198 Ga\n0.788802 0.788802 0.788802 Ga\n0.788802 0.788802 0.211198 Ga\n0.788802 0.211198 0.788802 Ga\n0.211198 0.788802 0.788802 Ga\n0.211198 0.211198 0.211198 Ga\n0.000000 0.000000 0.500000 Ru\n0.000000 0.500000 0.000000 Ru\n0.500000 0.000000 0.000000 Ru\n",
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{
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"structure_string": "K1 Cr2 Fe1 O10\n1.0\n2.733357 5.595547 0.000000\n-2.733357 5.595547 0.000000\n0.000000 3.303444 7.058460\nK Cr Fe O\n1 2 1 10\ndirect\n0.000000 0.000000 0.500000 K\n0.607169 0.607169 0.722931 Cr\n0.392831 0.392831 0.277069 Cr\n0.000000 0.000000 0.000000 Fe\n0.253871 0.768478 0.818076 O\n0.768478 0.253871 0.818076 O\n0.746129 0.231522 0.181924 O\n0.231522 0.746129 0.181924 O\n0.738994 0.738994 0.758925 O\n0.261006 0.261006 0.241075 O\n0.645456 0.645456 0.497955 O\n0.354544 0.354544 0.502045 O\n0.820584 0.820584 0.081988 O\n0.179416 0.179416 0.918012 O\n",
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{
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"structure_string": "Li2 Fe3 Cu1 O8\n1.0\n5.113726 1.543552 -2.491635\n1.643660 -5.627322 0.012427\n1.567892 -2.579711 -5.154733\nLi Fe Cu O\n2 3 1 8\ndirect\n0.500024 0.000035 0.000002 Li\n0.499962 0.499958 0.499999 Li\n0.999994 0.999987 0.500008 Fe\n0.000009 0.500006 0.999996 Fe\n0.999995 0.500031 0.499977 Fe\n0.000001 0.999965 0.000032 Cu\n0.212115 0.222977 0.023816 O\n0.210444 0.755280 0.024295 O\n0.216001 0.261159 0.513740 O\n0.215838 0.726226 0.522965 O\n0.784162 0.273777 0.477035 O\n0.783984 0.738840 0.486256 O\n0.789579 0.244742 0.975684 O\n0.787890 0.777019 0.976194 O\n",
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}