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"structure_string": "La6 Cu2 Sn2 S14\n1.0\n10.339443 -0.000000 -0.000000\n-5.169721 8.954220 0.000000\n-0.000000 -0.000000 6.080064\nLa Cu Sn S\n6 2 2 14\ndirect\n0.222012 0.356714 0.756672 La\n0.865297 0.222012 0.256672 La\n0.356714 0.134703 0.256672 La\n0.643286 0.865297 0.756672 La\n0.134703 0.777988 0.756672 La\n0.777988 0.643286 0.256672 La\n0.000000 0.000000 0.718918 Cu\n0.000000 0.000000 0.218919 Cu\n0.333333 0.666667 0.332212 Sn\n0.666667 0.333333 0.832212 Sn\n0.088581 0.515829 0.499043 S\n0.911419 0.484171 0.999042 S\n0.515829 0.427248 0.999042 S\n0.427248 0.911419 0.499043 S\n0.096790 0.844723 0.231874 S\n0.252067 0.096790 0.731873 S\n0.666667 0.333333 0.441102 S\n0.155277 0.252067 0.231874 S\n0.747933 0.903210 0.231874 S\n0.903210 0.155277 0.731873 S\n0.484171 0.572752 0.499043 S\n0.333333 0.666667 0.941101 S\n0.844723 0.747933 0.731873 S\n0.572752 0.088581 0.999042 S\n",
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"structure_string": "Li6 Ga2 B4 O12\n1.0\n4.961387 0.008377 0.006858\n0.022716 6.196920 -0.210078\n0.076079 2.283471 7.567800\nLi Ga B O\n6 2 4 12\ndirect\n0.676635 0.400645 0.425928 Li\n0.323367 0.599356 0.574072 Li\n0.174776 0.468089 0.239866 Li\n0.825225 0.531912 0.760134 Li\n0.833075 0.241486 0.109304 Li\n0.166927 0.758514 0.890695 Li\n0.648242 0.049524 0.768301 Ga\n0.351760 0.950476 0.231699 Ga\n0.660453 0.672828 0.071702 B\n0.339549 0.327172 0.928298 B\n0.162782 0.174984 0.587734 B\n0.837220 0.825017 0.412266 B\n0.289301 0.013671 0.720836 O\n0.780377 0.781791 0.910024 O\n0.219624 0.218210 0.089976 O\n0.880123 0.175966 0.588737 O\n0.119879 0.824034 0.411263 O\n0.301162 0.330085 0.467223 O\n0.698840 0.669915 0.532777 O\n0.794057 0.510640 0.185667 O\n0.205944 0.489360 0.814333 O\n0.389594 0.731384 0.100494 O\n0.610408 0.268617 0.899506 O\n0.710700 -0.013670 0.279164 O\n",
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"spacegroup": 4
},
{
"id": "jvasp-42221",
"created_at": "2022-09-04T14:35:46.011177Z",
"updated_at": "2022-09-04T14:35:46.011206Z",
"structure_string": "V8 O12 F4\n1.0\n-4.640179 0.011848 0.020254\n-0.003733 -5.833981 -0.008188\n0.309480 2.888560 9.294926\nV O F\n8 12 4\ndirect\n0.541883 0.855864 0.232766 V\n0.487531 0.139431 0.745128 V\n0.463744 0.395257 0.270057 V\n0.469504 0.609355 0.751289 V\n0.984288 0.238563 0.494097 V\n0.013913 0.503009 0.991225 V\n0.045260 -0.006066 0.004740 V\n0.998209 0.764598 0.507246 V\n0.792343 0.052658 0.602153 O\n0.809788 0.798329 0.096174 O\n0.702141 0.677276 0.353067 O\n0.702414 0.427644 0.848457 O\n0.688445 0.172390 0.345586 O\n0.284338 0.322128 0.645261 O\n0.306281 0.826852 0.654923 O\n0.309315 0.079133 0.156370 O\n0.199000 0.197525 0.901991 O\n0.209170 0.700914 0.898904 O\n0.186429 0.457841 0.406777 O\n0.301091 0.573694 0.149489 O\n0.790434 0.549623 0.601979 F\n0.205107 0.945177 0.394328 F\n0.703717 0.922296 0.850245 F\n0.805650 0.296499 0.097745 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 4.459299592024427,
"density_atomic": 0.09540949647421494,
"volume": 251.5472870825407,
"volume_molar": 6.311888210863292,
"formula_full": "V8 O12 F4",
"formula_reduced": "V2O3F",
"formula_anonymous": "AB2C3",
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"spacegroup": 1
}
]
}