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{
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{
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{
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{
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"structure_string": "Li6 Mn5 Ni3 O16\n1.0\n2.892928 5.051971 0.000000\n-2.892928 5.051971 0.000000\n0.000000 0.211578 9.436423\nLi Mn Ni O\n6 5 3 16\ndirect\n0.825668 0.825668 0.450535 Li\n0.347684 0.833802 0.453119 Li\n0.833802 0.347684 0.453119 Li\n0.173131 0.664629 0.940169 Li\n0.664629 0.173131 0.940169 Li\n0.164302 0.164302 0.940734 Li\n0.827903 0.827903 0.714720 Mn\n0.659917 0.659917 0.984782 Mn\n0.168388 0.663608 0.214589 Mn\n0.663608 0.168388 0.214589 Mn\n0.329426 0.329426 0.489652 Mn\n0.334922 0.832292 0.712366 Ni\n0.832292 0.334922 0.712366 Ni\n0.168171 0.168171 0.212886 Ni\n0.838066 0.838066 0.103169 O\n0.527387 0.964970 0.851928 O\n0.324670 0.828069 0.092261 O\n0.674687 0.674687 0.596774 O\n0.964970 0.527387 0.851928 O\n0.521319 0.521319 0.855731 O\n0.155637 0.664141 0.593349 O\n0.828069 0.324670 0.092261 O\n0.485184 0.485184 0.338261 O\n0.664141 0.155637 0.593349 O\n0.343466 0.343466 0.103313 O\n0.039004 0.494178 0.345816 O\n0.494178 0.039004 0.345816 O\n0.164635 0.164635 0.580723 O\n0.991560 0.991560 0.321050 O\n0.988626 0.988626 0.820508 O\n",
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{
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"structure_string": "Mg1 Ta4 Mn4 Nb4 O24\n1.0\n0.008949 0.000000 -5.181165\n0.000000 -5.959553 0.000000\n-14.752577 0.000000 0.027150\nMg Ta Mn Nb O\n1 4 4 4 24\ndirect\n0.250000 0.581110 0.000000 Mg\n0.260521 0.668495 0.183969 Ta\n0.760529 0.847727 0.343867 Ta\n0.739471 0.847727 0.656133 Ta\n0.239479 0.668495 0.816031 Ta\n0.250000 0.113155 0.000000 Mn\n0.750000 0.342006 0.500000 Mn\n0.750000 0.825070 0.000000 Mn\n0.250000 0.676824 0.500000 Mn\n0.732797 0.318042 0.841210 Nb\n0.224006 0.185245 0.660115 Nb\n0.275994 0.185245 0.339885 Nb\n0.767203 0.318042 0.158790 Nb\n0.911798 0.138053 0.748711 O\n0.401926 0.389005 0.760022 O\n0.098074 0.389005 0.239978 O\n0.588202 0.138053 0.251289 O\n0.083727 0.881824 0.256443 O\n0.590721 0.640460 0.246157 O\n0.909279 0.640460 0.753843 O\n0.416273 0.881824 0.743557 O\n0.594128 0.110698 0.920250 O\n0.096563 0.389137 0.579197 O\n0.403437 0.389137 0.420803 O\n0.905872 0.110698 0.079750 O\n0.394440 0.835518 0.081312 O\n0.900692 0.631177 0.417788 O\n0.599308 0.631177 0.582212 O\n0.105560 0.835518 0.918688 O\n0.058486 0.389985 0.906474 O\n0.575443 0.108982 0.600177 O\n0.924557 0.108982 0.399823 O\n0.441514 0.389985 0.093526 O\n0.957769 0.595499 0.095642 O\n0.434287 0.897945 0.402483 O\n0.065713 0.897945 0.597517 O\n0.542231 0.595499 0.904358 O\n",
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{
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},
{
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"structure_string": "Cu1 Pb3\n1.0\n4.760354 0.000000 0.000000\n0.000000 4.760354 0.000000\n0.000000 0.000000 4.760354\nCu Pb\n1 3\ndirect\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Pb\n0.500000 0.000000 0.500000 Pb\n0.500000 0.500000 0.000000 Pb\n",
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{
"id": "mp-1351567",
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"structure_string": "Cu1 H44 C12 N8 Cl2 O10\n1.0\n-9.595281 0.000000 0.000000\n-0.513032 -9.605972 0.000000\n4.797736 2.326641 8.074682\nCu H C N Cl O\n1 44 12 8 2 10\ndirect\n0.000000 0.500000 0.000000 Cu\n0.965734 0.381724 0.245775 H\n0.034266 0.618276 0.754225 H\n0.137383 0.298841 0.088076 H\n0.862617 0.701159 0.911924 H\n0.682336 0.623256 0.257968 H\n0.317664 0.376744 0.742032 H\n0.803546 0.689028 0.312526 H\n0.196454 0.310972 0.687474 H\n0.769655 0.313686 0.056665 H\n0.230345 0.686314 0.943335 H\n0.806580 0.364905 0.897554 H\n0.193420 0.635095 0.102446 H\n0.321058 0.202999 0.409548 H\n0.678942 0.797001 0.590452 H\n0.225223 0.091591 0.499908 H\n0.774777 0.908409 0.500092 H\n0.366966 0.169334 0.094912 H\n0.633034 0.830666 0.905088 H\n0.328021 0.052407 0.986533 H\n0.671979 0.947593 0.013467 H\n0.494763 0.342196 0.894454 H\n0.505237 0.657804 0.105546 H\n0.547704 0.502964 0.828866 H\n0.452296 0.497036 0.171134 H\n0.627825 0.350417 0.413818 H\n0.372175 0.649583 0.586182 H\n0.623950 0.508055 0.556074 H\n0.376050 0.491945 0.443926 H\n0.986837 0.141235 0.362823 H\n0.013163 0.858765 0.637177 H\n0.836586 0.139055 0.303831 H\n0.163414 0.860945 0.696169 H\n0.701101 0.132869 0.786227 H\n0.298899 0.867131 0.213773 H\n0.909140 0.136555 0.639391 H\n0.090860 0.863445 0.360609 H\n0.824304 0.507455 0.634603 H\n0.175696 0.492545 0.365397 H\n0.979349 0.350451 0.552399 H\n0.020651 0.649549 0.447601 H\n0.500827 0.131358 0.704198 H\n0.499173 0.868642 0.295802 H\n0.560537 0.136587 0.498364 H\n0.439463 0.863413 0.501636 H\n0.574322 0.384195 0.790525 C\n0.425678 0.615805 0.209475 C\n0.650553 0.389056 0.515065 C\n0.349447 0.610944 0.484935 C\n0.858361 0.178167 0.405393 C\n0.141639 0.821833 0.594607 C\n0.780925 0.173993 0.681148 C\n0.219075 0.826007 0.318852 C\n0.851544 0.388751 0.593881 C\n0.148456 0.611249 0.406119 C\n0.581346 0.173690 0.600895 C\n0.418654 0.826310 0.399105 C\n0.746045 0.334124 0.736650 N\n0.253955 0.665876 0.263350 N\n0.540890 0.333787 0.656174 N\n0.459110 0.666213 0.343826 N\n0.824326 0.338411 0.454896 N\n0.175674 0.661589 0.545104 N\n0.753204 0.118391 0.543555 N\n0.246796 0.881609 0.456445 N\n0.548871 0.191981 0.178400 Cl\n0.451129 0.808019 0.821600 Cl\n0.054070 0.388061 0.136265 O\n0.945930 0.611939 0.863735 O\n0.799547 0.613754 0.226079 O\n0.200453 0.386246 0.773921 O\n0.850774 0.351849 0.969198 O\n0.149226 0.648151 0.030802 O\n0.220504 0.197266 0.510610 O\n0.779496 0.802734 0.489390 O\n0.293418 0.154837 0.051254 O\n0.706582 0.845163 0.948746 O\n",
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],
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"density_atomic": 0.10345852521110674,
"volume": 744.2595942952191,
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"formula_full": "Cu1 H44 C12 N8 Cl2 O10",
"formula_reduced": "CuH44C12N8(ClO5)2",
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}
]
}