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{
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{
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{
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"formula_full": "Al4 B8 H72 C16 N4",
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{
"id": "mp-941221",
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"structure_string": "Li6 B30 H30\n1.0\n3.543921 -6.138252 0.000000\n3.543921 6.138252 0.000000\n0.000000 0.000000 14.983214\nLi B H\n6 30 30\ndirect\n0.500000 0.000000 0.240861 Li\n0.000000 0.500000 0.574194 Li\n0.500000 0.500000 0.907528 Li\n0.000000 0.500000 0.092472 Li\n0.500000 0.000000 0.759139 Li\n0.500000 0.500000 0.425806 Li\n0.697568 0.348784 0.333333 B\n0.651216 0.348784 0.666667 B\n0.651216 0.302432 0.000000 B\n0.302432 0.651216 0.333333 B\n0.348784 0.651216 0.666667 B\n0.348784 0.697568 0.000000 B\n0.876116 0.269801 0.300475 B\n0.730199 0.606315 0.633809 B\n0.393685 0.123884 0.967142 B\n0.123884 0.730199 0.300475 B\n0.269801 0.393685 0.633809 B\n0.606315 0.876116 0.967142 B\n0.269801 0.876116 0.032858 B\n0.606315 0.730199 0.699525 B\n0.123884 0.393685 0.366191 B\n0.730199 0.123884 0.032858 B\n0.393685 0.269801 0.699525 B\n0.876116 0.606315 0.366191 B\n0.879423 0.509713 0.253349 B\n0.490287 0.369710 0.586682 B\n0.630290 0.120577 0.920015 B\n0.120577 0.490287 0.253349 B\n0.509713 0.630290 0.586682 B\n0.369710 0.879423 0.920015 B\n0.509713 0.879423 0.079985 B\n0.369710 0.490287 0.746651 B\n0.120577 0.630290 0.413318 B\n0.490287 0.120577 0.079985 B\n0.630290 0.509713 0.746651 B\n0.879423 0.369710 0.413318 B\n0.500961 0.250481 0.333333 H\n0.749519 0.250481 0.666667 H\n0.749519 0.499039 0.000000 H\n0.499039 0.749519 0.333333 H\n0.250481 0.749519 0.666667 H\n0.250481 0.500961 0.000000 H\n0.818378 0.090862 0.270902 H\n0.909138 0.727516 0.604236 H\n0.272484 0.181622 0.937569 H\n0.181622 0.909138 0.270902 H\n0.090862 0.272484 0.604236 H\n0.727516 0.818378 0.937569 H\n0.090862 0.818378 0.062431 H\n0.727516 0.909138 0.729098 H\n0.181622 0.272484 0.395764 H\n0.909138 0.181622 0.062431 H\n0.272484 0.090862 0.729098 H\n0.818378 0.727516 0.395764 H\n0.807644 0.537443 0.184968 H\n0.462557 0.270200 0.518302 H\n0.729800 0.192356 0.851635 H\n0.192356 0.462557 0.184968 H\n0.537443 0.729800 0.518302 H\n0.270200 0.807644 0.851635 H\n0.537443 0.807644 0.148365 H\n0.270200 0.462557 0.815032 H\n0.192356 0.729800 0.481698 H\n0.462557 0.192356 0.148365 H\n0.729800 0.537443 0.815032 H\n0.807644 0.270200 0.481698 H\n",
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{
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{
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"structure_string": "Fe8 Se6 N4\n1.0\n6.575654 0.000000 0.000000\n0.000000 11.823202 0.000000\n0.000000 0.000000 3.113382\nFe Se N\n8 6 4\ndirect\n0.690768 0.934523 0.500000 Fe\n0.309232 0.065477 0.500000 Fe\n0.190768 0.565477 0.000000 Fe\n0.809232 0.434523 0.000000 Fe\n0.796883 0.636687 0.500000 Fe\n0.203117 0.363313 0.500000 Fe\n0.296883 0.863313 0.000000 Fe\n0.703117 0.136687 0.000000 Fe\n0.500000 0.500000 0.500000 Se\n0.000000 0.000000 0.000000 Se\n0.862691 0.277788 0.500000 Se\n0.137309 0.722212 0.500000 Se\n0.362691 0.222212 0.000000 Se\n0.637309 0.777788 0.000000 Se\n0.598240 0.078805 0.500000 N\n0.401760 0.921195 0.500000 N\n0.098240 0.421195 0.000000 N\n0.901760 0.578805 0.000000 N\n",
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{
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{
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