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0.156940 0.709094 Si\n0.067502 0.843060 0.290906 Si\n0.621836 0.847063 0.288650 Si\n0.271682 0.145151 0.282615 Si\n0.734305 0.410661 0.174216 Si\n0.371471 0.109470 0.884804 O\n0.877544 0.103159 0.885290 O\n0.193723 0.725106 0.921553 O\n0.101968 0.448879 0.849234 O\n0.494828 0.468640 0.839809 O\n0.719038 0.769179 0.892560 O\n0.415908 0.365647 0.603011 O\n0.850457 0.374821 0.611827 O\n0.285883 0.697931 0.650010 O\n0.776872 0.699724 0.639859 O\n0.166104 0.144910 0.677180 O\n0.518604 0.985363 0.668121 O\n0.886590 0.000830 0.655960 O\n0.113410 0.999170 0.344040 O\n0.481396 0.014637 0.331879 O\n0.833896 0.855090 0.322820 O\n0.223128 0.300276 0.360141 O\n0.714117 0.302069 0.349990 O\n0.149543 0.625179 0.388173 O\n0.584092 0.634353 0.396989 O\n0.280962 0.230821 0.107440 O\n0.505172 0.531360 0.160191 O\n0.898032 0.551121 0.150766 O\n0.806277 0.274894 0.078447 O\n0.122456 0.896841 0.114710 O\n0.628529 0.890530 0.115196 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C\n0.197828 0.355240 0.849912 C\n0.644761 0.150089 0.802171 C\n0.150087 0.802171 0.644761 C\n0.802172 0.644760 0.150088 C\n0.369608 0.369599 0.369600 C\n0.630392 0.630401 0.630400 C\n0.346483 0.542787 0.267288 C\n0.542793 0.267286 0.346480 C\n0.267288 0.346481 0.542788 C\n0.653517 0.457213 0.732712 C\n0.457207 0.732714 0.653520 C\n0.732712 0.653519 0.457212 C\n0.469426 0.413892 0.200171 C\n0.413893 0.200172 0.469424 C\n0.200175 0.469423 0.413891 C\n0.530574 0.586108 0.799829 C\n0.586107 0.799828 0.530576 C\n0.799825 0.530577 0.586109 C\n0.500747 0.489464 0.333800 C\n0.489466 0.333801 0.500745 C\n0.333802 0.500744 0.489462 C\n0.499253 0.510536 0.666200 C\n0.510534 0.666199 0.499255 C\n0.666198 0.499256 0.510538 C\n0.058458 0.677100 0.143335 C\n0.677097 0.143337 0.058456 C\n0.143335 0.058458 0.677100 C\n0.941542 0.322900 0.856665 C\n0.322903 0.856663 0.941544 C\n0.856665 0.941542 0.322900 C\n0.134057 0.644061 0.183147 C\n0.644062 0.183145 0.134058 C\n0.183147 0.134057 0.644061 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0.890402 Ga\n0.759197 0.759197 0.614012 Ga\n0.240803 0.240803 0.385988 Ga\n0.031648 0.031648 0.883606 Hg\n0.766476 0.766476 0.283013 Hg\n0.470815 0.470815 0.557335 Hg\n0.732998 0.235006 0.720778 Hg\n0.267002 0.764994 0.279222 Hg\n0.764994 0.267002 0.279222 Hg\n0.235006 0.732998 0.720778 Hg\n0.529185 0.529185 0.442665 Hg\n0.968352 0.968352 0.116394 Hg\n0.000000 0.000000 0.000000 Hg\n0.233524 0.233524 0.716987 Hg\n0.942862 0.942862 0.231397 As\n0.057138 0.057138 0.768603 As\n0.586412 0.586412 0.330064 As\n0.413588 0.413588 0.669936 As\n0.533536 0.049245 0.850832 Br\n0.071395 0.071395 0.420715 Br\n0.531091 0.531091 0.851060 Br\n0.434126 0.930018 0.584936 Br\n0.737534 0.737534 0.716675 Br\n0.337039 0.337039 0.990917 Br\n0.466464 0.950755 0.149168 Br\n0.950755 0.466464 0.149168 Br\n0.468909 0.468909 0.148940 Br\n0.565874 0.069982 0.415064 Br\n0.662961 0.662961 0.009083 Br\n0.930018 0.434126 0.584936 Br\n0.262466 0.262466 0.283325 Br\n0.069982 0.565874 0.415064 Br\n0.928605 0.928605 0.579285 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Ga\n0.369202 0.369202 0.386700 Ga\n0.211820 0.211820 0.884539 Ga\n0.788180 0.788180 0.115461 Ga\n0.521845 0.521845 0.939890 Hg\n0.478155 0.478155 0.060110 Hg\n0.961100 0.961100 0.620321 Hg\n0.038900 0.038900 0.379679 Hg\n0.000000 0.000000 0.500000 Hg\n0.744368 0.744368 0.780728 Hg\n0.255632 0.255632 0.219272 Hg\n0.244088 0.744386 0.779976 Hg\n0.744386 0.244088 0.779976 Hg\n0.755912 0.255614 0.220024 Hg\n0.255614 0.755912 0.220024 Hg\n0.562820 0.562820 0.826367 P\n0.437180 0.437180 0.173633 P\n0.924881 0.924881 0.734883 P\n0.075119 0.075119 0.265117 P\n0.243307 0.243307 0.784660 Cl\n0.756693 0.756693 0.215340 Cl\n0.044458 0.044458 0.914526 Cl\n0.955542 0.955542 0.085474 Cl\n0.463825 0.928114 0.651532 Cl\n0.928114 0.463825 0.651532 Cl\n0.536175 0.071886 0.348468 Cl\n0.071886 0.536175 0.348468 Cl\n0.464049 0.464049 0.651516 Cl\n0.535951 0.535951 0.348484 Cl\n0.044438 0.519241 0.914034 Cl\n0.519241 0.044438 0.914034 Cl\n0.955562 0.480759 0.085966 Cl\n0.480759 0.955562 0.085966 Cl\n0.660652 0.660652 0.515674 Cl\n0.339348 0.339348 0.484326 Cl\n","nsites":35,"nelements":4,"elements":["Ga","Hg","P","Cl"],"chemical_system":"Cl-Ga-Hg-P","density":4.678580504856417,"density_atomic":0.03104422121478221,"volume":1127.4239981041683,"volume_molar":19.39858860795793,"formula_full":"Ga4 Hg11 P4 Cl16","formula_reduced":"Ga4Hg11(PCl4)4","formula_anonymous":"A4B4C11D16","energy":-101.24170663,"energy_per_atom":-2.8926201894285715,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-91.41770663,"band_gap":1.7188,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003825,"is_theoretical":false,"updated_at":"2021-11-28T01:37:16.225000Z","spacegroup":12},{"id":"mp-1200768","created_at":"2022-09-04T14:39:29.816392Z","structure_string":"Gd16 Mo16 O44\n1.0\n5.764416 0.000000 0.000000\n0.000000 10.926356 0.000000\n0.000000 0.000000 16.181429\nGd Mo O\n16 16 44\ndirect\n0.500000 0.814697 0.223316 Gd\n0.500000 0.185303 0.776684 Gd\n0.500000 0.314697 0.276684 Gd\n0.500000 0.685303 0.723316 Gd\n0.500000 0.580175 0.401394 Gd\n0.500000 0.419825 0.598606 Gd\n0.500000 0.080175 0.098606 Gd\n0.500000 0.919825 0.901394 Gd\n0.000000 0.598204 0.262077 Gd\n0.000000 0.401796 0.737923 Gd\n0.000000 0.098204 0.237923 Gd\n0.000000 0.901796 0.762077 Gd\n0.000000 0.381129 0.423014 Gd\n0.000000 0.618871 0.576986 Gd\n0.000000 0.881129 0.076986 Gd\n0.000000 0.118871 0.923014 Gd\n0.274862 0.867767 0.415618 Mo\n0.274862 0.132233 0.584382 Mo\n0.725138 0.367767 0.084382 Mo\n0.725138 0.632233 0.915618 Mo\n0.725138 0.132233 0.584382 Mo\n0.725138 0.867767 0.415618 Mo\n0.274862 0.632233 0.915618 Mo\n0.274862 0.367767 0.084382 Mo\n0.500000 0.091143 0.432284 Mo\n0.500000 0.908857 0.567716 Mo\n0.500000 0.591143 0.067716 Mo\n0.500000 0.408857 0.932284 Mo\n0.000000 0.081996 0.441131 Mo\n0.000000 0.918004 0.558869 Mo\n0.000000 0.581996 0.058869 Mo\n0.000000 0.418004 0.941131 Mo\n0.262422 0.727974 0.326497 O\n0.262422 0.272026 0.673503 O\n0.737578 0.227974 0.173503 O\n0.737578 0.772026 0.826497 O\n0.737578 0.272026 0.673503 O\n0.737578 0.727974 0.326497 O\n0.262422 0.772026 0.826497 O\n0.262422 0.227974 0.173503 O\n0.241019 0.684634 0.135338 O\n0.241019 0.315366 0.864662 O\n0.758981 0.184634 0.364662 O\n0.758981 0.815366 0.635338 O\n0.758981 0.315366 0.864662 O\n0.758981 0.684634 0.135338 O\n0.241019 0.815366 0.635338 O\n0.241019 0.184634 0.364662 O\n0.246658 0.960256 0.173495 O\n0.246658 0.039744 0.826505 O\n0.753342 0.460256 0.326505 O\n0.753342 0.539744 0.673495 O\n0.753342 0.039744 0.826505 O\n0.753342 0.960256 0.173495 O\n0.246658 0.539744 0.673495 O\n0.246658 0.460256 0.326505 O\n0.500000 0.960675 0.335409 O\n0.500000 0.039325 0.664591 O\n0.500000 0.460675 0.164591 O\n0.500000 0.539325 0.835409 O\n0.500000 0.757193 0.486426 O\n0.500000 0.242807 0.513574 O\n0.500000 0.257193 0.013574 O\n0.500000 0.742807 0.986426 O\n0.000000 0.951295 0.348098 O\n0.000000 0.048705 0.651902 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