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{
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"structure_string": "Na4 In4 Ge2 S12\n1.0\n6.995384 0.050544 2.000479\n2.642070 6.477454 2.000479\n0.051591 0.034945 12.405294\nNa In Ge S\n4 4 2 12\ndirect\n0.910424 0.527162 0.337915 Na\n0.527162 0.910424 0.837914 Na\n0.077588 0.922230 0.503227 Na\n0.922230 0.077588 0.003227 Na\n0.618103 0.454799 0.691286 In\n0.454799 0.618103 0.191286 In\n0.283371 0.417759 0.997613 In\n0.417759 0.283371 0.497613 In\n0.064812 0.514896 0.750160 Ge\n0.514896 0.064812 0.250160 Ge\n0.705988 0.790644 0.162173 S\n0.790645 0.705987 0.662173 S\n0.206481 0.217742 0.196403 S\n0.217742 0.206481 0.696402 S\n0.714766 0.248262 0.203146 S\n0.743545 0.292450 0.520119 S\n0.214756 0.611815 0.378993 S\n0.611814 0.214757 0.878993 S\n0.292450 0.743545 0.020119 S\n0.956323 0.471796 0.939116 S\n0.248263 0.714766 0.703146 S\n0.471797 0.956323 0.439116 S\n",
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{
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"created_at": "2022-09-04T14:38:49.569829Z",
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"structure_string": "Li7 Mn2 Co3 O12\n1.0\n6.156435 0.012047 1.504852\n5.492373 2.781309 1.504852\n-0.046847 -0.011234 11.601412\nLi Mn Co O\n7 2 3 12\ndirect\n0.674909 0.674912 0.578147 Li\n0.332585 0.332588 0.428276 Li\n-0.003242 -0.003241 0.262018 Li\n0.669946 0.669948 0.089377 Li\n0.333807 0.333811 0.908959 Li\n0.990516 0.990521 0.734701 Li\n0.335430 0.335432 0.655989 Li\n-0.001678 -0.001678 0.003131 Mn\n0.672774 0.672778 0.827887 Mn\n0.667181 0.667184 0.333780 Co\n0.334063 0.334065 0.168518 Co\n-0.002787 -0.002786 0.502031 Co\n0.497305 0.497307 0.118584 O\n0.507939 0.507941 0.383464 O\n0.174826 0.174827 0.217504 O\n0.839537 0.839539 0.052181 O\n0.502112 0.502116 0.889413 O\n0.161363 0.161366 0.724619 O\n0.841724 0.841727 0.536633 O\n0.820751 0.820755 0.798302 O\n0.503564 0.503567 0.608969 O\n0.160639 0.160640 0.445224 O\n0.827872 0.827875 0.279364 O\n0.158833 0.158836 0.952924 O\n",
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{
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"structure_string": "Sr2 Fe1 Co1 O6\n1.0\n3.813349 -0.000000 0.000000\n0.000000 3.813349 0.000000\n-0.000000 -0.000000 7.668687\nSr Fe Co O\n2 1 1 6\ndirect\n0.500000 0.500000 0.748642 Sr\n0.500000 0.500000 0.251359 Sr\n0.000000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Co\n0.500000 0.000000 -0.000000 O\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 -0.000000 O\n-0.000000 0.500000 0.500000 O\n0.000000 0.000000 0.754731 O\n0.000000 0.000000 0.245270 O\n",
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"structure_string": "Ba2 Sr2 Pd2 F12\n1.0\n9.033410 -0.013633 0.000000\n-7.019542 5.685834 0.000000\n-0.000000 -0.000000 6.012476\nBa Sr Pd F\n2 2 2 12\ndirect\n0.336290 0.663709 0.500000 Ba\n0.836291 0.163710 -0.000000 Ba\n0.659918 0.340082 0.500000 Sr\n0.159918 0.840081 -0.000000 Sr\n0.004216 0.995782 0.500000 Pd\n0.504217 0.495783 -0.000000 Pd\n0.252637 0.077351 0.334510 F\n0.922649 0.747363 0.665491 F\n0.581308 0.742061 0.162164 F\n0.257939 0.418691 0.837836 F\n0.757939 0.918691 0.662165 F\n0.484682 -0.000359 0.748731 F\n0.000360 0.515318 0.251270 F\n0.752637 0.577351 0.165491 F\n0.984682 0.499641 0.751270 F\n0.500360 0.015318 0.248731 F\n0.081308 0.242061 0.337836 F\n0.422649 0.247363 0.834510 F\n",
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"structure_string": "Li5 Mn2 Co1 O8\n1.0\n5.037060 0.001371 3.849185\n4.229562 2.735467 3.849185\n-0.001303 -0.000384 9.680538\nLi Mn Co O\n5 2 1 8\ndirect\n0.116890 0.116892 0.620554 Li\n0.378534 0.378537 0.851677 Li\n0.624742 0.624743 0.133168 Li\n0.879824 0.879826 0.393256 Li\n0.493647 0.493648 0.512009 Li\n0.003458 0.003461 0.996152 Mn\n0.241796 0.241797 0.258094 Mn\n0.753502 0.753505 0.743921 Co\n0.185239 0.185241 0.922403 O\n0.443337 0.443338 0.166743 O\n0.700780 0.700781 0.413876 O\n0.926651 0.926654 0.691126 O\n0.078357 0.078358 0.302863 O\n0.300323 0.300325 0.586133 O\n0.558128 0.558130 0.829459 O\n0.814778 0.814780 0.078558 O\n",
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"structure_string": "Li4 Cr2 Co6 O16\n1.0\n4.924623 -0.038350 2.889079\n1.687271 9.165518 2.880765\n-0.040400 -0.008436 5.709312\nLi Cr Co O\n4 2 6 16\ndirect\n0.560373 0.318664 0.560484 Li\n0.060362 0.818662 0.060558 Li\n0.937180 0.188270 0.937281 Li\n0.437171 0.688267 0.437301 Li\n0.252624 0.241740 0.252834 Cr\n0.752616 0.741742 0.752895 Cr\n0.000187 0.501060 0.498552 Co\n0.500151 0.001080 0.500169 Co\n0.998687 0.001119 0.500118 Co\n0.000157 0.501082 0.000113 Co\n0.498699 0.501121 0.000062 Co\n0.500176 0.001062 -0.001390 Co\n0.353389 0.381181 0.911993 O\n0.101898 0.617097 0.640434 O\n0.601910 0.117097 0.140484 O\n0.640546 0.617042 0.102110 O\n0.140563 0.117057 0.602094 O\n0.853369 0.881181 0.412066 O\n0.411987 0.881090 0.853464 O\n0.367584 0.897073 0.367687 O\n0.853422 0.881169 0.853440 O\n0.353430 0.381170 0.353378 O\n0.131343 0.606355 0.131107 O\n0.631332 0.106356 0.631169 O\n0.140602 0.117041 0.140301 O\n0.867598 0.397073 0.867630 O\n0.911999 0.381092 0.353405 O\n0.640636 0.617054 0.640257 O\n",
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"structure_string": "Li2 Ga2 W4 O16\n1.0\n5.700089 -0.000000 0.000000\n0.000000 4.934866 0.060166\n-0.000000 -0.059608 9.320844\nLi Ga W O\n2 2 4 16\ndirect\n0.341075 0.250000 0.500000 Li\n0.658925 0.750000 0.500000 Li\n0.331656 0.250000 0.000000 Ga\n0.668344 0.750001 0.000000 Ga\n0.181913 0.755090 0.748375 W\n0.181913 0.744911 0.251626 W\n0.818088 0.255090 0.748374 W\n0.818088 0.244910 0.251625 W\n0.380125 0.899963 0.626309 O\n0.380125 0.600038 0.373691 O\n0.898478 0.563117 0.350603 O\n0.619875 0.100038 0.373691 O\n0.617912 0.089845 0.885543 O\n0.617912 0.410154 0.114456 O\n0.382089 0.910155 0.114457 O\n0.882463 0.926088 0.131038 O\n0.101522 0.436884 0.649397 O\n0.882463 0.573912 0.868963 O\n0.898478 0.936884 0.649397 O\n0.117537 0.426088 0.131037 O\n0.117537 0.073912 0.868962 O\n0.382089 0.589846 0.885543 O\n0.619875 0.399962 0.626309 O\n0.101522 0.063116 0.350603 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Ga",
"W",
"O"
],
"chemical_system": "Ga-Li-O-W",
"density": 7.249139951145015,
"density_atomic": 0.09153035372692521,
"volume": 262.20809843696685,
"volume_molar": 6.579391988330626,
"formula_full": "Li2 Ga2 W4 O16",
"formula_reduced": "LiGa(WO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 3.4064266937500003,
"spacegroup": 13
}
]
}