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{
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{
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{
"id": "mp-761784",
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"structure_string": "Ba8 Bi10 O27\n1.0\n8.271495 -5.423400 0.000000\n8.271495 5.423400 0.000000\n4.715516 0.000000 8.694527\nBa Bi O\n8 10 27\ndirect\n0.888689 0.217703 0.572976 Ba\n0.334852 0.334852 0.334852 Ba\n0.427024 0.111311 0.782297 Ba\n0.782297 0.427024 0.111311 Ba\n0.217703 0.572976 0.888689 Ba\n0.665148 0.665148 0.665148 Ba\n0.111311 0.782297 0.427024 Ba\n0.572976 0.888689 0.217703 Ba\n0.166044 0.166044 0.166044 Bi\n0.724148 0.056110 0.388297 Bi\n0.611703 0.275852 0.943890 Bi\n0.056110 0.388297 0.724148 Bi\n0.500000 0.500000 0.500000 Bi\n0.388297 0.724148 0.056110 Bi\n0.943890 0.611703 0.275852 Bi\n0.833956 0.833956 0.833956 Bi\n0.275852 0.943890 0.611703 Bi\n0.000000 0.000000 0.000000 Bi\n0.396308 0.210007 0.053387 O\n0.944972 0.106111 0.253517 O\n0.210007 0.053387 0.396308 O\n0.679780 0.159943 0.159635 O\n0.746483 0.055028 0.893889 O\n0.159943 0.159635 0.679780 O\n0.615585 0.284632 0.428625 O\n0.053387 0.396308 0.210007 O\n0.840365 0.320220 0.840057 O\n0.106111 0.253517 0.944972 O\n0.159635 0.679780 0.159943 O\n0.571375 0.384415 0.715368 O\n0.000000 0.500000 0.500000 O\n0.428625 0.615585 0.284632 O\n0.284632 0.428625 0.615585 O\n0.715368 0.571375 0.384415 O\n0.893889 0.746483 0.055028 O\n0.840057 0.840365 0.320220 O\n0.384415 0.715368 0.571375 O\n0.253517 0.944972 0.106111 O\n0.500000 0.500000 0.000000 O\n0.946613 0.603692 0.789993 O\n0.500000 0.000000 0.500000 O\n0.320220 0.840057 0.840365 O\n0.789993 0.946613 0.603692 O\n0.603692 0.789993 0.946613 O\n0.055028 0.893889 0.746483 O\n",
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{
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{
"id": "mp-754784",
"created_at": "2022-09-04T14:48:28.243753Z",
"structure_string": "Li4 Mn6 Co2 O16\n1.0\n2.918646 -5.055243 0.000000\n2.918646 5.055243 0.000000\n0.000000 0.000000 9.649648\nLi Mn Co O\n4 6 2 16\ndirect\n0.333333 0.666667 0.886196 Li\n0.000000 0.000000 0.998136 Li\n0.000000 0.000000 0.498136 Li\n0.666667 0.333333 0.386196 Li\n0.168817 0.831183 0.215231 Mn\n0.168817 0.337634 0.215231 Mn\n0.662366 0.831183 0.215231 Mn\n0.337634 0.168817 0.715231 Mn\n0.831183 0.662366 0.715231 Mn\n0.831183 0.168817 0.715231 Mn\n0.333333 0.666667 0.493514 Co\n0.666667 0.333333 0.993514 Co\n0.158890 0.841110 0.606413 O\n0.035196 0.517598 0.330217 O\n0.333333 0.666667 0.108960 O\n0.000000 0.000000 0.311511 O\n0.000000 0.000000 0.811511 O\n0.158890 0.317781 0.606413 O\n0.482402 0.964804 0.330217 O\n0.482402 0.517598 0.330217 O\n0.317781 0.158890 0.106413 O\n0.682219 0.841110 0.606413 O\n0.517598 0.482402 0.830217 O\n0.517598 0.035196 0.830217 O\n0.666667 0.333333 0.608960 O\n0.841110 0.682219 0.106413 O\n0.964804 0.482402 0.830217 O\n0.841110 0.158890 0.106413 O\n",
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{
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"elements": [
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{
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"structure_string": "Li20 Fe4 O4 F20\n1.0\n2.592883 4.451361 -0.004342\n1.609943 -0.000406 9.707311\n7.779370 -4.451778 -0.012397\nLi Fe O F\n20 4 4 20\ndirect\n0.894758 0.739333 0.528718 Li\n0.394772 0.739357 0.028723 Li\n0.095681 0.239335 0.461727 Li\n0.595716 0.239324 0.961727 Li\n0.360514 0.745912 0.375001 Li\n0.860555 0.745947 0.874999 Li\n0.632306 0.245889 0.617721 Li\n0.132288 0.245911 0.117749 Li\n0.885448 0.744189 0.222964 Li\n0.385444 0.744205 0.722956 Li\n0.141744 0.244197 0.804178 Li\n0.641771 0.244181 0.304223 Li\n0.241909 0.508359 0.572053 Li\n0.742016 0.508346 0.072089 Li\n0.987144 0.008353 0.657008 Li\n0.487134 0.008346 0.157017 Li\n0.762228 0.509772 0.414364 Li\n0.262189 0.509791 0.914350 Li\n0.490415 0.009749 0.838255 Li\n0.990391 0.009764 0.338284 Li\n0.738384 0.506379 0.759653 Fe\n0.019986 0.006433 0.999053 Fe\n0.238612 0.506423 0.259593 Fe\n0.519995 0.006429 0.499046 Fe\n0.068209 0.622006 0.393475 O\n0.568339 0.622071 0.893536 O\n0.806151 0.121961 0.480880 O\n0.306113 0.121987 0.980845 O\n0.192779 0.871756 0.191465 F\n0.692789 0.871783 0.691463 F\n0.440832 0.371796 0.442170 F\n0.940780 0.371772 0.942195 F\n0.575195 0.626247 0.223447 F\n0.075167 0.626281 0.723475 F\n0.297698 0.126270 0.649349 F\n0.797666 0.126257 0.149378 F\n0.688827 0.870173 0.349197 F\n0.188873 0.870171 0.849206 F\n0.429443 0.370141 0.769009 F\n0.929437 0.370155 0.269054 F\n0.207794 0.879574 0.520069 F\n0.707762 0.879559 0.020113 F\n0.926038 0.379514 0.613917 F\n0.426177 0.379544 0.113915 F\n0.565230 0.626264 0.555736 F\n0.065327 0.626278 0.055739 F\n0.800981 0.126273 0.810449 F\n0.300994 0.126248 0.310470 F\n",
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"formula_full": "Li20 Fe4 O4 F20",
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{
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"structure_string": "Li10 Mn2 Cr6 O16\n1.0\n-3.034923 5.181204 0.012011\n6.233007 7.121272 5.071917\n0.006333 3.467726 -4.902200\nLi Mn Cr O\n10 2 6 16\ndirect\n0.935267 0.096966 0.032245 Li\n0.935675 0.596947 0.532605 Li\n0.064331 0.403064 0.467377 Li\n0.064721 0.903049 0.967774 Li\n0.499951 0.249959 0.249654 Li\n0.500036 0.750047 0.750353 Li\n0.999697 0.249959 0.749906 Li\n0.000311 0.750047 0.250079 Li\n0.000108 0.249874 0.249979 Li\n0.999895 0.750136 0.750028 Li\n0.501517 0.749424 0.250929 Mn\n0.498492 0.250582 0.749063 Mn\n0.499974 0.999994 0.500042 Cr\n0.499991 0.500003 0.500012 Cr\n0.999951 0.500008 0.000007 Cr\n0.500003 0.499996 0.999983 Cr\n0.500027 0.999984 0.999998 Cr\n0.000024 0.999979 0.499999 Cr\n0.741681 0.388016 0.129862 O\n0.741500 0.887894 0.629588 O\n0.258524 0.112084 0.370431 O\n0.258302 0.611985 0.870130 O\n0.749668 0.614068 0.885118 O\n0.750501 0.114055 0.384797 O\n0.751174 0.613151 0.364255 O\n0.750143 0.113447 0.863566 O\n0.271063 0.614060 0.363742 O\n0.270759 0.114058 0.864525 O\n0.729242 0.885946 0.135492 O\n0.728942 0.385945 0.636240 O\n0.249908 0.886547 0.136396 O\n0.248810 0.386857 0.635740 O\n0.249495 0.885937 0.615219 O\n0.250308 0.385944 0.114867 O\n",
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"formula_full": "Li10 Mn2 Cr6 O16",
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{
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"structure_string": "Li8 Cu2 P4 O16\n1.0\n5.002483 0.000000 0.000000\n0.000000 6.345302 0.000000\n0.000000 0.232164 10.566488\nLi Cu P O\n8 2 4 16\ndirect\n0.938658 0.997379 0.845044 Li\n0.458335 0.260687 0.423508 Li\n0.541665 0.260687 0.923508 Li\n0.061342 0.997379 0.345044 Li\n0.941249 0.509726 0.836670 Li\n0.058751 0.509726 0.336670 Li\n0.434296 0.504662 0.660960 Li\n0.565704 0.504662 0.160960 Li\n0.577207 0.977084 0.160236 Cu\n0.422793 0.977084 0.660236 Cu\n0.573324 0.751084 0.405778 P\n0.951346 0.250464 0.592756 P\n0.426676 0.751084 0.905778 P\n0.048654 0.250464 0.092756 P\n0.523046 0.751133 0.045898 O\n0.959564 0.040787 0.164112 O\n0.537343 0.963695 0.841566 O\n0.462657 0.963695 0.341566 O\n0.123410 0.750747 0.895248 O\n0.364152 0.247985 0.091828 O\n0.876590 0.750747 0.395248 O\n0.476954 0.751133 0.545898 O\n0.546786 0.555439 0.840335 O\n0.453214 0.555439 0.340335 O\n0.053901 0.438688 0.666189 O\n0.946099 0.438688 0.166189 O\n0.944034 0.249932 0.954283 O\n0.055966 0.249932 0.454283 O\n0.635848 0.247985 0.591828 O\n0.040436 0.040787 0.664112 O\n",
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]
}