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{
"id": "mp-1245318",
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"formula_full": "Zr30 O60",
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{
"id": "mp-1095705",
"created_at": "2022-09-04T14:43:53.041720Z",
"structure_string": "Li1 Mg30 Ti1 O32\n1.0\n8.519224 0.000000 0.000000\n0.000000 8.519224 0.000000\n0.000000 0.000000 8.505511\nLi Mg Ti O\n1 30 1 32\ndirect\n0.000000 0.000000 0.500000 Li\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.250843 0.000000 0.255421 Mg\n0.250843 0.000000 0.744579 Mg\n0.749157 0.000000 0.255421 Mg\n0.749157 0.000000 0.744579 Mg\n0.250059 0.500000 0.251066 Mg\n0.250059 0.500000 0.748934 Mg\n0.749941 0.500000 0.251066 Mg\n0.749941 0.500000 0.748934 Mg\n0.000000 0.250843 0.255421 Mg\n0.000000 0.250843 0.744579 Mg\n0.500000 0.250059 0.251066 Mg\n0.500000 0.250059 0.748934 Mg\n0.000000 0.749157 0.255421 Mg\n0.000000 0.749157 0.744579 Mg\n0.500000 0.749941 0.251066 Mg\n0.500000 0.749941 0.748934 Mg\n0.251222 0.251222 0.000000 Mg\n0.247304 0.247304 0.500000 Mg\n0.748778 0.251222 0.000000 Mg\n0.752696 0.247304 0.500000 Mg\n0.251222 0.748778 0.000000 Mg\n0.247304 0.752696 0.500000 Mg\n0.748778 0.748778 0.000000 Mg\n0.752696 0.752696 0.500000 Mg\n0.000000 0.000000 0.000000 Ti\n0.000000 0.249655 0.000000 O\n0.000000 0.254399 0.500000 O\n0.500000 0.249846 0.000000 O\n0.500000 0.250490 0.500000 O\n0.000000 0.750345 0.000000 O\n0.000000 0.745601 0.500000 O\n0.500000 0.750154 0.000000 O\n0.500000 0.749510 0.500000 O\n0.249357 0.249357 0.249243 O\n0.249357 0.249357 0.750757 O\n0.750643 0.249357 0.249243 O\n0.750643 0.249357 0.750757 O\n0.249357 0.750643 0.249243 O\n0.249357 0.750643 0.750757 O\n0.750643 0.750643 0.249243 O\n0.750643 0.750643 0.750757 O\n0.000000 0.000000 0.235248 O\n0.000000 0.000000 0.764752 O\n0.500000 0.000000 0.248361 O\n0.500000 0.000000 0.751639 O\n0.000000 0.500000 0.248361 O\n0.000000 0.500000 0.751639 O\n0.500000 0.500000 0.249268 O\n0.500000 0.500000 0.750732 O\n0.249655 0.000000 0.000000 O\n0.254399 0.000000 0.500000 O\n0.750345 0.000000 0.000000 O\n0.745601 0.000000 0.500000 O\n0.249846 0.500000 0.000000 O\n0.250490 0.500000 0.500000 O\n0.750154 0.500000 0.000000 O\n0.749510 0.500000 0.500000 O\n",
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"formula_full": "Li1 Mg30 Ti1 O32",
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"spacegroup": 123
},
{
"id": "mp-661279",
"created_at": "2022-09-04T14:43:52.341999Z",
"structure_string": "Li2 Nb6 In2 Cl18\n1.0\n9.403611 0.000000 0.000000\n-1.121044 9.393909 0.000000\n-2.432137 -4.950952 7.699227\nLi Nb In Cl\n2 6 2 18\ndirect\n0.617971 0.859315 0.188707 Li\n0.382029 0.140685 0.811293 Li\n0.139468 0.324714 0.246663 Nb\n0.860532 0.675286 0.753337 Nb\n0.132251 0.452844 0.892413 Nb\n0.857814 0.320738 0.978797 Nb\n0.867749 0.547156 0.107587 Nb\n0.142186 0.679262 0.021203 Nb\n0.343021 0.783714 0.484317 In\n0.656979 0.216286 0.515683 In\n0.002741 0.917798 0.734319 Cl\n0.679891 0.764079 0.834092 Cl\n0.332586 0.905470 0.057087 Cl\n0.987794 0.232289 0.849461 Cl\n0.008175 0.346907 0.416082 Cl\n0.670032 0.897524 0.439177 Cl\n0.322236 0.655054 0.900323 Cl\n0.320109 0.235921 0.165908 Cl\n0.299891 0.402416 0.752115 Cl\n0.997259 0.082202 0.265681 Cl\n0.677764 0.344946 0.099677 Cl\n0.669210 0.494852 0.681695 Cl\n0.700109 0.597584 0.247885 Cl\n0.012206 0.767711 0.150539 Cl\n0.991825 0.653093 0.583918 Cl\n0.329968 0.102476 0.560823 Cl\n0.667414 0.094530 0.942913 Cl\n0.330790 0.505148 0.318305 Cl\n",
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{
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"structure_string": "Ga8 P8\n1.0\n6.743509 0.000000 0.000000\n0.000000 6.743509 0.000000\n0.000000 0.000000 6.743509\nGa P\n8 8\ndirect\n0.341231 0.341231 0.341231 Ga\n0.158769 0.658769 0.841231 Ga\n0.841231 0.158769 0.658769 Ga\n0.658769 0.841231 0.158769 Ga\n0.658769 0.658769 0.658769 Ga\n0.841231 0.341231 0.158769 Ga\n0.158769 0.841231 0.341231 Ga\n0.341231 0.158769 0.841231 Ga\n0.141035 0.141035 0.141035 P\n0.358965 0.858965 0.641035 P\n0.641035 0.358965 0.858965 P\n0.858965 0.641035 0.358965 P\n0.858965 0.858965 0.858965 P\n0.641035 0.141035 0.358965 P\n0.358965 0.641035 0.141035 P\n0.141035 0.358965 0.641035 P\n",
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"formula_full": "Ga8 P8",
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},
{
"id": "mp-532655",
"created_at": "2022-09-04T14:43:53.059281Z",
"structure_string": "Rb8 Ti4 Fe4 P12 O48\n1.0\n10.052009 0.000000 0.000000\n0.000000 10.052009 0.000000\n0.000000 0.000000 10.052009\nRb Ti Fe P O\n8 4 4 12 48\ndirect\n0.069274 0.069274 0.069274 Rb\n0.209443 0.709443 0.790557 Rb\n0.290557 0.290557 0.290557 Rb\n0.430726 0.930726 0.569274 Rb\n0.569274 0.430726 0.930726 Rb\n0.709443 0.790557 0.209443 Rb\n0.790557 0.209443 0.709443 Rb\n0.930726 0.569274 0.430726 Rb\n0.141908 0.358092 0.641908 Ti\n0.358092 0.641908 0.141908 Ti\n0.641908 0.141908 0.358092 Ti\n0.858092 0.858092 0.858092 Ti\n0.087225 0.912775 0.412775 Fe\n0.412775 0.087225 0.912775 Fe\n0.587225 0.587225 0.587225 Fe\n0.912775 0.412775 0.087225 Fe\n0.043400 0.726096 0.126457 P\n0.126457 0.043400 0.726096 P\n0.226096 0.373543 0.956600 P\n0.273904 0.626457 0.456600 P\n0.373543 0.956600 0.226096 P\n0.456600 0.273904 0.626457 P\n0.543400 0.773904 0.873543 P\n0.626457 0.456600 0.273904 P\n0.726096 0.126457 0.043400 P\n0.773904 0.873543 0.543400 P\n0.873543 0.543400 0.773904 P\n0.956600 0.226096 0.373543 P\n0.999099 0.582086 0.148063 O\n0.012879 0.960998 0.794313 O\n0.018341 0.808096 0.253355 O\n0.039002 0.294313 0.487121 O\n0.082086 0.351937 0.000901 O\n0.084622 0.193070 0.732402 O\n0.148063 0.999099 0.582086 O\n0.193070 0.732402 0.084622 O\n0.191904 0.753355 0.481659 O\n0.205687 0.512879 0.539002 O\n0.232402 0.415378 0.806930 O\n0.246645 0.981659 0.308096 O\n0.253355 0.018341 0.808096 O\n0.267598 0.584622 0.306930 O\n0.294313 0.487121 0.039002 O\n0.308096 0.246645 0.981659 O\n0.306930 0.267598 0.584622 O\n0.351937 0.000901 0.082086 O\n0.415378 0.806930 0.232402 O\n0.417914 0.648063 0.500901 O\n0.460998 0.705687 0.987121 O\n0.481659 0.191904 0.753355 O\n0.487121 0.039002 0.294313 O\n0.500901 0.417914 0.648063 O\n0.499099 0.917914 0.851937 O\n0.512879 0.539002 0.205687 O\n0.518341 0.691904 0.746645 O\n0.539002 0.205687 0.512879 O\n0.582086 0.148063 0.999099 O\n0.584622 0.306930 0.267598 O\n0.648063 0.500901 0.417914 O\n0.693070 0.767598 0.915378 O\n0.691904 0.746645 0.518341 O\n0.705687 0.987121 0.460998 O\n0.732402 0.084622 0.193070 O\n0.746645 0.518341 0.691904 O\n0.753355 0.481659 0.191904 O\n0.767598 0.915378 0.693070 O\n0.794313 0.012879 0.960998 O\n0.808096 0.253355 0.018341 O\n0.806930 0.232402 0.415378 O\n0.851937 0.499099 0.917914 O\n0.915378 0.693070 0.767598 O\n0.917914 0.851937 0.499099 O\n0.960998 0.794313 0.012879 O\n0.981659 0.308096 0.246645 O\n0.987121 0.460998 0.705687 O\n0.000901 0.082086 0.351937 O\n",
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"formula_full": "Rb8 Ti4 Fe4 P12 O48",
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{
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"structure_string": "Cd6 Co5 O15\n1.0\n4.667514 2.694713 4.079107\n-4.667584 2.694881 4.079074\n0.000111 -5.389576 4.079078\nCd Co O\n6 5 15\ndirect\n0.166017 0.833972 0.499978 Cd\n0.500011 0.166038 0.833974 Cd\n0.834001 0.500014 0.166016 Cd\n0.316428 0.683557 0.999999 Cd\n0.999993 0.316422 0.683565 Cd\n0.683564 0.999998 0.316445 Cd\n0.499997 0.499996 0.500004 Co\n0.103148 0.103118 0.103153 Co\n0.896845 0.896856 0.896884 Co\n0.299648 0.299657 0.299634 Co\n0.700353 0.700357 0.700343 Co\n0.999996 0.844879 0.155101 O\n0.155067 0.000008 0.844900 O\n0.844927 0.155102 0.999989 O\n0.302399 0.579897 0.318957 O\n0.420087 0.697595 0.681053 O\n0.318954 0.302412 0.579903 O\n0.697596 0.681048 0.420090 O\n0.579908 0.318952 0.302403 O\n0.681051 0.420102 0.697600 O\n0.744514 0.977939 0.673450 O\n0.022055 0.255472 0.326553 O\n0.255491 0.326548 0.022072 O\n0.673439 0.744537 0.977952 O\n0.326556 0.022069 0.255458 O\n0.977954 0.673453 0.744525 O\n",
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{
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