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{
"id": "mp-758116",
"created_at": "2022-09-04T14:39:12.662926Z",
"structure_string": "Li8 Cr12 W4 O32\n1.0\n8.542188 0.000000 0.000000\n0.000000 8.542188 0.000000\n0.000000 0.000000 8.542188\nLi Cr W O\n8 12 4 32\ndirect\n0.494185 0.494185 0.494185 Li\n0.755815 0.755815 0.755815 Li\n0.744185 0.244185 0.255815 Li\n0.005815 0.505815 0.994185 Li\n0.994185 0.005815 0.505815 Li\n0.255815 0.744185 0.244185 Li\n0.244185 0.255815 0.744185 Li\n0.505815 0.994185 0.005815 Li\n0.623977 0.626023 0.125000 Cr\n0.625000 0.876023 0.373977 Cr\n0.626023 0.125000 0.623977 Cr\n0.873977 0.875000 0.123977 Cr\n0.875000 0.123977 0.873977 Cr\n0.876023 0.373977 0.625000 Cr\n0.123977 0.873977 0.875000 Cr\n0.125000 0.623977 0.626023 Cr\n0.126023 0.375000 0.376023 Cr\n0.373977 0.625000 0.876023 Cr\n0.375000 0.376023 0.126023 Cr\n0.376023 0.126023 0.375000 Cr\n0.625000 0.375000 0.875000 W\n0.875000 0.625000 0.375000 W\n0.125000 0.125000 0.125000 W\n0.375000 0.875000 0.625000 W\n0.614239 0.610142 0.885808 O\n0.614192 0.385761 0.110142 O\n0.609109 0.109109 0.390891 O\n0.639858 0.635761 0.364192 O\n0.610142 0.885808 0.614239 O\n0.640891 0.859109 0.140891 O\n0.635808 0.139858 0.864239 O\n0.635761 0.364192 0.639858 O\n0.864239 0.635808 0.139858 O\n0.864192 0.860142 0.364239 O\n0.859109 0.140891 0.640891 O\n0.889858 0.114192 0.114239 O\n0.860142 0.364239 0.864192 O\n0.890891 0.890891 0.890891 O\n0.885808 0.614239 0.610142 O\n0.885761 0.389858 0.385808 O\n0.114239 0.889858 0.114192 O\n0.114192 0.114239 0.889858 O\n0.109109 0.390891 0.609109 O\n0.139858 0.864239 0.635808 O\n0.110142 0.614192 0.385761 O\n0.140891 0.640891 0.859109 O\n0.135808 0.360142 0.135761 O\n0.135761 0.135808 0.360142 O\n0.364239 0.864192 0.860142 O\n0.364192 0.639858 0.635761 O\n0.359109 0.359109 0.359109 O\n0.389858 0.385808 0.885761 O\n0.360142 0.135761 0.135808 O\n0.390891 0.609109 0.109109 O\n0.385808 0.885761 0.389858 O\n0.385761 0.110142 0.614192 O\n",
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{
"id": "mp-1079439",
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"structure_string": "Fe1 Cl3 O6\n1.0\n2.608229 5.783884 0.000000\n-2.608229 5.783884 0.000000\n0.000000 1.668028 5.978914\nFe Cl O\n1 3 6\ndirect\n0.000000 0.000000 0.000000 Fe\n0.122034 0.122034 0.644879 Cl\n0.877966 0.877966 0.355121 Cl\n0.500000 0.500000 0.500000 Cl\n0.600052 0.169879 0.900157 O\n0.169879 0.600052 0.900157 O\n0.399948 0.830121 0.099843 O\n0.830121 0.399948 0.099843 O\n0.610697 0.610697 0.980775 O\n0.389303 0.389303 0.019225 O\n",
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"formula_full": "Fe1 Cl3 O6",
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{
"id": "mp-1184419",
"created_at": "2022-09-04T14:39:12.621997Z",
"structure_string": "Eu2 Au6\n1.0\n3.268458 -5.661135 0.000000\n3.268458 5.661135 0.000000\n0.000000 0.000000 4.910395\nEu Au\n2 6\ndirect\n0.333333 0.666667 0.750000 Eu\n0.666667 0.333333 0.250000 Eu\n0.152103 0.304206 0.250000 Au\n0.695794 0.847897 0.250000 Au\n0.152103 0.847897 0.250000 Au\n0.847897 0.695794 0.750000 Au\n0.304206 0.152103 0.750000 Au\n0.847897 0.152103 0.750000 Au\n",
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{
"id": "mp-1076871",
"created_at": "2022-09-04T14:39:12.630437Z",
"structure_string": "La28 Sm4 Co24 Cu8 O80\n1.0\n0.000450 0.004796 10.810828\n11.461355 0.008076 0.000320\n-5.719529 16.032915 -5.397840\nLa Sm Co Cu O\n28 4 24 8 80\ndirect\n0.302045 0.065222 0.111066 La\n0.308353 0.065276 0.610246 La\n0.307884 0.565508 0.610687 La\n0.804439 0.066354 0.610906 La\n0.805305 0.567908 0.110895 La\n0.807621 0.565391 0.611077 La\n0.197133 0.433430 0.388665 La\n0.193065 0.435444 0.890478 La\n0.197259 0.933940 0.387267 La\n0.194259 0.932697 0.888912 La\n0.696712 0.434768 0.389151 La\n0.693109 0.933387 0.388722 La\n0.694871 0.932678 0.889625 La\n0.053821 0.294797 0.111634 La\n0.057736 0.294949 0.610979 La\n0.057310 0.796482 0.610859 La\n0.560180 0.294231 0.111537 La\n0.559095 0.295960 0.613101 La\n0.553798 0.795336 0.111941 La\n0.557688 0.796041 0.610618 La\n0.447075 0.204006 0.389115 La\n0.449078 0.206608 0.889211 La\n0.445723 0.704109 0.386743 La\n0.445308 0.704457 0.888744 La\n0.945342 0.202357 0.387116 La\n0.941679 0.206046 0.888759 La\n0.946404 0.704899 0.388074 La\n0.944042 0.704398 0.889372 La\n0.300429 0.569347 0.109028 Sm\n0.802744 0.067472 0.108731 Sm\n0.693652 0.433035 0.892026 Sm\n0.053421 0.790979 0.109515 Sm\n0.004890 0.999782 0.499444 Co\n0.005486 0.499859 0.499864 Co\n0.505308 0.500021 0.499853 Co\n0.255693 0.251529 0.001377 Co\n0.255027 0.249469 0.499292 Co\n0.255533 0.750101 0.499836 Co\n0.754872 0.249720 0.499579 Co\n0.755070 0.750066 0.500110 Co\n0.105051 0.092926 0.250159 Co\n0.108918 0.096592 0.751149 Co\n0.110544 0.596777 0.251000 Co\n0.107188 0.592849 0.748209 Co\n0.610567 0.095113 0.251599 Co\n0.608816 0.095889 0.751377 Co\n0.605811 0.595443 0.250659 Co\n0.608209 0.593032 0.749536 Co\n0.357160 0.405316 0.247733 Co\n0.358755 0.404279 0.748362 Co\n0.354056 0.903735 0.247382 Co\n0.357218 0.904274 0.747936 Co\n0.859291 0.405266 0.251662 Co\n0.854884 0.404372 0.748996 Co\n0.859883 0.906564 0.249859 Co\n0.857431 0.904440 0.748290 Co\n0.003447 0.999514 0.001901 Cu\n0.002726 0.500441 0.000587 Cu\n0.503739 0.000330 0.001036 Cu\n0.503686 0.999894 0.499704 Cu\n0.503125 0.500819 0.000643 Cu\n0.253361 0.750657 0.001224 Cu\n0.753808 0.249897 0.000227 Cu\n0.753961 0.750705 0.001432 Cu\n0.120065 0.118929 0.483618 O\n0.118172 0.118968 0.985607 O\n0.119711 0.618715 0.483368 O\n0.121015 0.622900 0.991013 O\n0.620091 0.120127 0.486088 O\n0.623062 0.120705 0.989628 O\n0.620434 0.619250 0.484061 O\n0.620489 0.616256 0.984816 O\n0.135722 0.385384 0.016593 O\n0.136247 0.381185 0.515727 O\n0.131864 0.878018 0.016506 O\n0.136459 0.881119 0.515640 O\n0.632610 0.379036 0.010256 O\n0.636091 0.380612 0.515435 O\n0.636391 0.883985 0.015528 O\n0.633877 0.879704 0.513525 O\n0.370921 0.115336 0.485468 O\n0.372031 0.115242 0.985999 O\n0.370102 0.615043 0.483928 O\n0.370208 0.615802 0.989017 O\n0.870027 0.115196 0.484131 O\n0.869884 0.114833 0.990640 O\n0.870748 0.614908 0.484250 O\n0.869084 0.612694 0.985786 O\n0.385432 0.390579 0.017731 O\n0.385579 0.384056 0.514667 O\n0.382734 0.883466 0.011867 O\n0.385538 0.884152 0.513892 O\n0.880050 0.384240 0.009883 O\n0.886665 0.385055 0.515870 O\n0.886470 0.887229 0.018848 O\n0.885954 0.884476 0.515576 O\n0.101044 0.118954 0.148141 O\n0.089928 0.109031 0.641028 O\n0.106028 0.619095 0.147802 O\n0.087858 0.608488 0.639141 O\n0.606901 0.116118 0.148159 O\n0.596660 0.116539 0.646775 O\n0.602616 0.617943 0.147677 O\n0.587979 0.607727 0.639683 O\n0.447101 0.391037 0.358215 O\n0.458608 0.384416 0.852248 O\n0.447109 0.884005 0.352457 O\n0.451627 0.882502 0.852219 O\n0.948373 0.390954 0.360984 O\n0.953746 0.384354 0.853132 O\n0.950023 0.892526 0.359811 O\n0.950352 0.882531 0.852835 O\n0.339821 0.280285 0.138629 O\n0.337344 0.280856 0.638655 O\n0.346359 0.779329 0.143248 O\n0.337515 0.781553 0.638278 O\n0.845390 0.279967 0.146120 O\n0.836315 0.282250 0.639222 O\n0.856973 0.781028 0.146212 O\n0.836651 0.781342 0.638672 O\n0.197189 0.215840 0.360193 O\n0.201825 0.219057 0.862010 O\n0.198393 0.720005 0.360962 O\n0.200122 0.716357 0.854291 O\n0.698156 0.218638 0.361382 O\n0.700590 0.221361 0.856433 O\n0.697210 0.717470 0.360496 O\n0.701059 0.718800 0.854900 O\n0.420303 0.071148 0.249930 O\n0.418894 0.070841 0.749888 O\n0.414544 0.569500 0.244364 O\n0.418655 0.570952 0.749009 O\n0.913826 0.071868 0.245358 O\n0.920583 0.071077 0.750005 O\n0.921562 0.569717 0.250113 O\n0.918864 0.570026 0.749534 O\n0.170237 0.429901 0.250694 O\n0.170637 0.427947 0.750185 O\n0.163323 0.924341 0.244563 O\n0.169543 0.930205 0.749837 O\n0.669422 0.429867 0.250729 O\n0.670041 0.429981 0.755669 O\n0.671288 0.928702 0.250616 O\n0.669597 0.929186 0.749716 O\n",
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"density": 6.428241848508238,
"density_atomic": 0.07245712349769441,
"volume": 1987.38223446839,
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"formula_full": "La28 Sm4 Co24 Cu8 O80",
"formula_reduced": "La7SmCo6(CuO10)2",
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{
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"structure_string": "Al4 Ni2 O8\n1.0\n1.681308 4.748751 2.907121\n-0.034202 0.050321 5.751733\n3.320794 -4.697149 -0.060964\nAl Ni O\n4 2 8\ndirect\n0.501682 0.499759 0.499721 Al\n0.998326 0.499740 0.499774 Al\n0.498453 0.501275 0.998157 Al\n0.001593 0.998083 0.501307 Al\n0.249805 0.130518 0.130142 Ni\n0.750058 0.880252 0.880427 Ni\n0.035100 0.725482 0.295460 O\n0.971959 0.265103 0.709255 O\n0.465026 0.295317 0.725558 O\n0.527910 0.709414 0.264993 O\n0.027970 0.737203 0.737684 O\n0.964980 0.260277 0.259992 O\n0.472048 0.737644 0.737184 O\n0.535091 0.259931 0.260345 O\n",
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{
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{
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"structure_string": "Li9 Mn2 Co5 O16\n1.0\n2.899888 0.000000 0.000000\n0.000000 10.235325 0.000000\n0.000000 3.469715 9.688871\nLi Mn Co O\n9 2 5 16\ndirect\n0.500000 0.002668 0.738706 Li\n0.500000 0.000049 0.262661 Li\n0.000000 0.748944 0.744153 Li\n0.000000 0.747409 0.256392 Li\n0.500000 0.500192 0.746352 Li\n0.500000 0.490312 0.258930 Li\n0.000000 0.246829 0.729654 Li\n0.000000 0.254210 0.268084 Li\n0.500000 0.251199 0.496201 Li\n0.000000 0.000277 0.002812 Mn\n0.000000 0.495188 0.495386 Mn\n0.000000 0.016405 0.507495 Co\n0.500000 0.747745 0.001479 Co\n0.500000 0.756147 0.500628 Co\n0.000000 0.498880 0.996061 Co\n0.500000 0.255139 0.998611 Co\n0.500000 0.106437 0.888775 O\n0.500000 0.115213 0.383204 O\n0.000000 0.865854 0.902107 O\n0.000000 0.865649 0.384730 O\n0.500000 0.619273 0.883969 O\n0.500000 0.614805 0.386561 O\n0.000000 0.373085 0.879741 O\n0.000000 0.387709 0.383693 O\n0.500000 0.876164 0.616876 O\n0.500000 0.892045 0.114249 O\n0.000000 0.625547 0.607106 O\n0.000000 0.638588 0.108806 O\n0.500000 0.391127 0.609853 O\n0.500000 0.379884 0.115097 O\n0.000000 0.115319 0.624065 O\n0.000000 0.121706 0.107565 O\n",
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"formula_full": "Li9 Mn2 Co5 O16",
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{
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