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{
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{
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"structure_string": "Ba22 W8 O46\n1.0\n10.768023 0.077933 6.419413\n3.757500 10.375970 6.259962\n0.146858 -0.086682 12.587305\nBa W O\n22 8 46\ndirect\n0.234719 0.207891 0.243786 Ba\n0.139113 0.158128 0.601304 Ba\n0.139261 0.599577 0.156246 Ba\n0.601222 0.165145 0.144386 Ba\n0.354986 0.389819 0.377350 Ba\n0.129569 0.577589 0.632838 Ba\n0.196384 0.800822 0.298166 Ba\n0.246246 0.227515 0.790243 Ba\n0.067160 0.796724 0.778985 Ba\n0.628283 0.152623 0.547635 Ba\n0.620811 0.557890 0.156618 Ba\n0.348014 0.439655 0.867996 Ba\n0.366719 0.832617 0.455579 Ba\n0.989714 0.173158 0.176575 Ba\n0.733769 0.759421 0.227116 Ba\n0.851926 0.400191 0.379421 Ba\n0.749611 0.186436 0.757656 Ba\n0.627977 0.591981 0.639452 Ba\n0.379825 0.838424 0.844966 Ba\n0.831473 0.860844 0.387649 Ba\n0.845702 0.384969 0.859459 Ba\n0.766726 0.788023 0.742713 Ba\n0.977359 0.005780 0.012806 W\n0.455894 0.998336 0.017821 W\n0.484618 0.000148 0.502202 W\n0.487779 0.504446 0.005192 W\n0.481341 0.498374 0.515487 W\n0.986898 0.502629 0.004053 W\n0.987955 0.499394 0.503511 W\n0.966516 0.024375 0.511049 W\n0.119169 0.383930 0.392182 O\n0.505386 0.129616 0.979012 O\n0.084248 0.385708 0.630429 O\n0.108102 0.599890 0.406368 O\n0.368287 0.399582 0.103578 O\n0.376121 0.102288 0.389454 O\n0.362558 0.618123 0.117454 O\n0.371560 0.124285 0.603217 O\n0.579480 0.386362 0.131100 O\n0.602681 0.100495 0.378619 O\n0.384204 0.378746 0.595663 O\n0.384237 0.608021 0.391900 O\n0.331537 0.609502 0.632346 O\n0.617568 0.400556 0.394220 O\n0.097970 0.899154 0.911020 O\n0.513018 0.859555 0.145852 O\n0.562251 0.401398 0.648091 O\n0.583688 0.613961 0.433322 O\n0.357878 0.905774 0.624615 O\n0.391313 0.616918 0.882214 O\n0.882095 0.410184 0.033018 O\n0.886598 0.021381 0.412428 O\n0.808384 0.980996 0.695109 O\n0.810765 0.191451 0.535413 O\n0.828864 0.581549 0.134563 O\n0.026914 0.028617 0.624031 O\n0.058577 0.365164 0.135948 O\n0.020473 0.173798 0.363114 O\n0.087770 0.595464 0.983268 O\n0.607772 0.394701 0.891267 O\n0.591489 0.873565 0.407199 O\n0.275680 0.058637 0.075034 O\n0.603587 0.607312 0.910445 O\n0.592818 0.897003 0.612493 O\n0.896716 0.610396 0.375798 O\n0.873942 0.393772 0.602036 O\n0.845044 0.138057 0.937671 O\n0.837307 0.933969 0.139011 O\n0.509623 0.955084 0.875394 O\n0.862517 0.613165 0.611853 O\n0.035899 0.936948 0.154187 O\n0.050578 0.138519 0.938775 O\n0.936431 0.642453 0.857656 O\n0.021874 0.825420 0.573192 O\n0.143751 0.416784 0.872866 O\n0.167306 0.954828 0.389118 O\n",
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{
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"structure_string": "Bi4 Ir4 Se4\n1.0\n6.388197 0.000000 0.000000\n0.000000 6.388197 0.000000\n0.000000 0.000000 6.388197\nBi Ir Se\n4 4 4\ndirect\n0.130715 0.630715 0.869285 Bi\n0.630715 0.869285 0.130715 Bi\n0.869285 0.130715 0.630715 Bi\n0.369285 0.369285 0.369285 Bi\n0.485363 0.985363 0.514637 Ir\n0.985363 0.514637 0.485363 Ir\n0.514637 0.485363 0.985363 Ir\n0.014637 0.014637 0.014637 Ir\n0.879049 0.379049 0.120951 Se\n0.379049 0.120951 0.879049 Se\n0.120951 0.879049 0.379049 Se\n0.620951 0.620951 0.620951 Se\n",
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},
{
"id": "mp-758241",
"created_at": "2022-09-04T14:40:27.288957Z",
"structure_string": "Li4 Cr4 Si4 O16\n1.0\n-0.000003 5.699235 -0.000001\n0.000001 -0.000001 8.048462\n5.699237 -0.000003 0.000001\nLi Cr Si O\n4 4 4 16\ndirect\n0.220074 0.000000 0.000000 Li\n0.779927 0.500000 0.000000 Li\n0.000001 0.250000 0.220072 Li\n0.000000 0.750000 0.779928 Li\n0.235085 0.000000 0.500001 Cr\n0.764911 0.500000 0.500000 Cr\n0.500003 0.250000 0.235096 Cr\n0.500001 0.750000 0.764904 Cr\n0.255175 0.625001 0.255176 Si\n0.744824 0.875000 0.255177 Si\n0.255175 0.374999 0.744824 Si\n0.744824 0.125000 0.744823 Si\n0.260247 0.260934 0.984417 O\n0.739754 0.239066 0.984415 O\n0.984418 0.989068 0.260249 O\n0.015582 0.510932 0.260247 O\n0.015582 0.489068 0.739751 O\n0.984417 0.010932 0.739751 O\n0.260246 0.739066 0.015583 O\n0.739754 0.760934 0.015584 O\n0.495657 0.500908 0.259786 O\n0.504343 0.999092 0.259787 O\n0.259780 0.250903 0.504346 O\n0.740220 0.249098 0.504347 O\n0.259780 0.749098 0.495653 O\n0.740221 0.750903 0.495653 O\n0.495657 0.499092 0.740214 O\n0.504343 0.000908 0.740213 O\n",
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"density_atomic": 0.10710551931463255,
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"formula_full": "Li4 Cr4 Si4 O16",
"formula_reduced": "LiCrSiO4",
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},
{
"id": "mp-38322",
"created_at": "2022-09-04T14:40:29.562572Z",
"structure_string": "Mg2 I4 O12\n1.0\n5.314413 0.000000 0.000000\n0.000000 5.558095 0.000000\n0.000000 0.049841 9.504921\nMg I O\n2 4 12\ndirect\n0.424014 0.765543 0.746236 Mg\n0.924014 0.234457 0.253764 Mg\n0.000881 0.737602 0.066262 I\n0.523411 0.729924 0.399207 I\n0.023411 0.270076 0.600793 I\n0.500881 0.262398 0.933738 I\n0.136897 0.152364 0.432773 O\n0.153367 0.017966 0.122812 O\n0.636897 0.847636 0.567227 O\n0.205304 0.551099 0.604975 O\n0.710725 0.341456 0.079827 O\n0.653367 0.982034 0.877188 O\n0.210830 0.087579 0.723956 O\n0.705304 0.448901 0.395025 O\n0.710830 0.912421 0.276044 O\n0.643072 0.465912 0.803024 O\n0.143072 0.534088 0.196976 O\n0.210725 0.658544 0.920173 O\n",
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"volume": 280.7564736293751,
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}
]
}