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{
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{
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"structure_string": "Li6 Mn2 P2 C2 O14\n1.0\n5.032073 0.000000 0.000000\n0.887142 6.812406 0.000000\n0.477853 0.843598 8.682297\nLi Mn P C O\n6 2 2 2 14\ndirect\n0.291597 0.104565 0.233053 Li\n0.129087 0.471966 0.210600 Li\n0.457397 0.731750 0.244298 Li\n0.542603 0.268250 0.755702 Li\n0.870913 0.528034 0.789400 Li\n0.708403 0.895435 0.766947 Li\n0.704170 0.253903 0.369228 Mn\n0.295830 0.746097 0.630772 Mn\n0.833245 0.755405 0.414103 P\n0.166755 0.244595 0.585897 P\n0.755326 0.277621 0.060748 C\n0.244674 0.722379 0.939252 C\n0.224907 0.713733 0.086100 O\n0.524428 0.294559 0.136152 O\n0.968181 0.252212 0.144306 O\n0.773924 0.573279 0.334096 O\n0.665436 0.936824 0.329172 O\n0.138631 0.777680 0.405111 O\n0.260601 0.269977 0.412238 O\n0.739399 0.730023 0.587762 O\n0.861369 0.222320 0.594889 O\n0.334564 0.063176 0.670828 O\n0.226076 0.426721 0.665904 O\n0.031819 0.747788 0.855694 O\n0.475572 0.705441 0.863848 O\n0.775093 0.286267 0.913900 O\n",
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{
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{
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"structure_string": "Cs2 Li1 Fe1 C6 N6\n1.0\n0.000000 5.399844 5.399844\n5.399844 0.000000 5.399844\n5.399844 5.399844 0.000000\nCs Li Fe C N\n2 1 1 6 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Fe\n0.714602 0.714602 0.285398 C\n0.285398 0.714602 0.285398 C\n0.714602 0.285398 0.285398 C\n0.285398 0.285398 0.714602 C\n0.714602 0.285398 0.714602 C\n0.285398 0.714602 0.714602 C\n0.823897 0.823897 0.176103 N\n0.176103 0.823897 0.176103 N\n0.823897 0.176103 0.176103 N\n0.176103 0.176103 0.823897 N\n0.823897 0.176103 0.823897 N\n0.176103 0.823897 0.823897 N\n",
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{
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{
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{
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"formula_full": "Nd1 Ti1 Fe11 C1",
"formula_reduced": "NdTiFe11C",
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{
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"structure_string": "Y2 H6 O6\n1.0\n3.484431 0.000000 0.000000\n0.000000 6.366912 0.000000\n0.000000 3.065955 5.689206\nY H O\n2 6 6\ndirect\n0.500000 0.340653 0.322514 Y\n0.000000 0.651569 0.671587 Y\n0.500000 0.846603 0.861284 H\n0.500000 0.261562 0.865506 H\n0.500000 0.854195 0.305643 H\n0.000000 0.131179 0.140328 H\n0.000000 0.729699 0.129259 H\n0.000000 0.139152 0.691559 H\n0.500000 0.899656 0.693053 O\n0.500000 0.385334 0.913103 O\n0.500000 0.681856 0.405079 O\n0.000000 0.088539 0.306119 O\n0.000000 0.605419 0.082329 O\n0.000000 0.310928 0.588982 O\n",
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"formula_full": "Y2 H6 O6",
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{
"id": "mp-1234310",
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"structure_string": "Mg1 Tl4 V4 Te4 O20\n1.0\n7.094754 -0.063771 -0.043489\n-0.089954 8.170060 0.007861\n-0.048378 0.012952 9.177503\nMg Tl V Te O\n1 4 4 4 20\ndirect\n0.400516 0.096248 0.526472 Mg\n0.986233 0.920844 0.891856 Tl\n0.552561 0.756982 0.597274 Tl\n0.524674 0.426696 0.347250 Tl\n0.001727 0.417355 0.097020 Tl\n0.309910 0.800375 0.254078 V\n0.178420 0.304555 0.759663 V\n0.802145 0.799084 0.232124 V\n0.675869 0.295752 0.739767 V\n0.944380 0.095689 0.463310 Te\n0.020964 0.589557 0.519796 Te\n0.507853 0.608667 0.961356 Te\n0.475864 0.107709 0.027061 Te\n0.935871 0.263601 0.800482 O\n0.128552 0.050372 0.609277 O\n0.052479 0.785330 0.189780 O\n0.873724 0.543425 0.353050 O\n0.326819 0.992545 0.338397 O\n0.573241 0.739284 0.313817 O\n0.877318 0.866546 0.439541 O\n0.212098 0.497943 0.820832 O\n0.410927 0.264152 0.675887 O\n0.596840 0.387058 0.939806 O\n0.242184 0.170625 0.926173 O\n0.354592 0.568959 0.125797 O\n0.743393 0.669700 0.061680 O\n0.385522 0.883674 0.049673 O\n0.710852 0.137715 0.566187 O\n0.703643 0.486756 0.658391 O\n0.621396 0.072138 0.860201 O\n0.761683 0.991793 0.173366 O\n0.254070 0.650458 0.422457 O\n0.094750 0.364742 0.551036 O\n",
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"volume_molar": 9.706586741238326,
"formula_full": "Mg1 Tl4 V4 Te4 O20",
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}
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}