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"structure_string": "Tb4 Sn4 O14\n1.0\n6.427666 0.000000 3.711014\n2.142555 6.060061 3.711014\n0.000000 0.000000 7.422029\nTb Sn O\n4 4 14\ndirect\n0.500000 0.500000 0.500000 Tb\n-0.000000 0.500000 0.500000 Tb\n0.500000 -0.000000 0.500000 Tb\n0.500000 0.500000 -0.000001 Tb\n0.000000 0.000000 0.000000 Sn\n-0.000000 -0.000000 0.500000 Sn\n0.500000 -0.000000 -0.000000 Sn\n-0.000000 0.500000 -0.000000 Sn\n0.088821 0.661179 0.088821 O\n0.661179 0.088821 0.661178 O\n0.661179 0.088821 0.088821 O\n0.625000 0.625000 0.624999 O\n0.911179 0.338821 0.338820 O\n0.338821 0.911179 0.338821 O\n0.338821 0.338821 0.911178 O\n0.911179 0.911179 0.338820 O\n0.911179 0.338821 0.911178 O\n0.088821 0.661179 0.661179 O\n0.338821 0.911179 0.911178 O\n0.375000 0.375000 0.375000 O\n0.661179 0.661179 0.088821 O\n0.088821 0.088821 0.661179 O\n",
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"structure_string": "Mg10 Fe1 O11\n1.0\n5.158598 0.012187 0.007894\n-0.878010 6.600924 0.005769\n-1.723951 -2.249025 6.026118\nMg Fe O\n10 1 11\ndirect\n0.955045 0.090099 0.820103 Mg\n0.044956 0.909900 0.179897 Mg\n0.409188 0.180961 0.640257 Mg\n0.861929 0.271196 0.452682 Mg\n0.772652 0.450955 0.090908 Mg\n0.320967 0.362173 0.272203 Mg\n0.679034 0.637826 0.727797 Mg\n0.227349 0.549044 0.909092 Mg\n0.590813 0.819038 0.359743 Mg\n0.138071 0.728803 0.547318 Mg\n0.500000 0.000000 -0.000000 Fe\n0.545740 0.909842 0.683464 O\n0.907171 0.180418 0.135718 O\n0.000000 -0.000000 0.500000 O\n0.818027 0.364109 0.773186 O\n0.454260 0.090157 0.316536 O\n0.364336 0.271699 0.955863 O\n0.727480 0.546245 0.409194 O\n0.635664 0.728300 0.044136 O\n0.272521 0.453754 0.590806 O\n0.092829 0.819581 0.864282 O\n0.181973 0.635890 0.226813 O\n",
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"structure_string": "Ba8 O2 F12\n1.0\n8.770294 -0.000000 -0.000000\n0.000000 8.770294 0.000000\n0.000000 0.000000 6.303881\nBa O F\n8 2 12\ndirect\n0.500000 0.754121 0.793893 Ba\n0.254121 0.000000 0.293893 Ba\n0.745878 0.000000 0.293893 Ba\n0.500000 0.245878 0.793893 Ba\n0.000000 0.254121 0.706107 Ba\n0.754121 0.500000 0.206107 Ba\n0.245878 0.500000 0.206107 Ba\n0.000000 0.745878 0.706107 Ba\n0.000000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.000000 0.500000 0.964828 F\n0.000000 0.500000 0.464828 F\n0.720919 0.279081 0.500000 F\n0.279081 0.279081 0.500000 F\n0.220919 0.220919 0.000000 F\n0.220919 0.779080 0.000000 F\n0.500000 0.000000 0.535171 F\n0.500000 0.000000 0.035172 F\n0.779080 0.779080 0.000000 F\n0.279081 0.720919 0.500000 F\n0.779080 0.220919 0.000000 F\n0.720919 0.720919 0.500000 F\n",
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"structure_string": "K4 Mn2 H4 O2 F10\n1.0\n0.000000 5.889194 -0.038581\n8.223370 0.000000 0.000000\n0.000000 -0.692762 -6.043723\nK Mn H O F\n4 2 4 2 10\ndirect\n0.079505 0.750000 0.518370 K\n0.920494 0.250000 0.481630 K\n0.498558 0.750000 0.093650 K\n0.501441 0.250000 0.906350 K\n0.000000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.624609 0.652861 0.619351 H\n0.375390 0.152860 0.380648 H\n0.375390 0.347140 0.380648 H\n0.624609 0.847140 0.619351 H\n0.443426 0.250000 0.457760 O\n0.556573 0.750000 0.542240 O\n0.207643 0.504185 0.264060 F\n0.792357 0.004185 0.735940 F\n0.792357 0.495815 0.735940 F\n0.207643 0.995815 0.264060 F\n0.243208 0.530876 0.831116 F\n0.756792 0.030876 0.168883 F\n0.756792 0.469124 0.168883 F\n0.243208 0.969124 0.831116 F\n0.958630 0.750000 0.028720 F\n0.041370 0.250000 0.971279 F\n",
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"structure_string": "Na6 Sr6 Ga2 As8\n1.0\n4.811219 -8.333276 -0.000000\n4.811219 8.333276 0.000000\n-0.000000 -0.000000 7.550054\nNa Sr Ga As\n6 6 2 8\ndirect\n0.135367 0.864633 0.168909 Na\n0.270735 0.135367 0.668909 Na\n0.864633 0.729265 0.668909 Na\n0.729265 0.864633 0.168909 Na\n0.864633 0.135367 0.668909 Na\n0.135367 0.270735 0.168909 Na\n0.478293 0.521707 0.499413 Sr\n0.043413 0.521707 0.499413 Sr\n0.521707 0.478293 0.999413 Sr\n0.521707 0.043413 0.999413 Sr\n0.956587 0.478293 0.999413 Sr\n0.478293 0.956587 0.499413 Sr\n0.666667 0.333333 0.372977 Ga\n0.333333 0.666667 0.872977 Ga\n0.187925 0.812075 0.777859 As\n0.812075 0.187925 0.277859 As\n0.187925 0.375850 0.777859 As\n0.812075 0.624150 0.277859 As\n0.666667 0.333333 0.719577 As\n0.624150 0.812075 0.777859 As\n0.333333 0.666667 0.219578 As\n0.375850 0.187925 0.277859 As\n",
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"created_at": "2022-09-04T14:38:04.911760Z",
"updated_at": "2022-09-04T14:38:04.911784Z",
"structure_string": "Li4 V4 F14\n1.0\n3.264916 6.072467 0.000000\n-3.960390 6.043279 -0.001705\n3.386526 2.093143 6.029604\nLi V F\n4 4 14\ndirect\n0.000000 0.500000 -0.000000 Li\n0.000001 0.499999 0.499999 Li\n0.000000 0.000000 0.000000 Li\n0.500001 -0.000001 0.500000 Li\n0.500001 0.500000 -0.000000 V\n0.500001 0.499999 0.499999 V\n0.500000 -0.000000 -0.000000 V\n0.000000 -0.000001 0.500000 V\n0.748406 0.170420 0.414247 F\n0.666927 0.670419 0.914248 F\n0.251596 0.085751 0.329579 F\n0.333075 0.585750 0.829578 F\n0.765028 0.584892 0.415107 F\n0.234974 0.415107 0.584892 F\n0.251596 0.829578 0.585750 F\n0.748406 0.914248 0.670420 F\n0.333075 0.329579 0.085752 F\n0.234974 0.084892 0.915107 F\n0.765028 0.915107 0.084892 F\n0.157463 0.750000 0.249999 F\n0.666927 0.414248 0.170420 F\n0.842539 0.249999 0.749999 F\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Li",
"V",
"F"
],
"chemical_system": "F-Li-V",
"density": 3.1298352500602817,
"density_atomic": 0.08334802288362757,
"volume": 263.95347170642435,
"volume_molar": 7.225295275939841,
"formula_full": "Li4 V4 F14",
"formula_reduced": "Li2V2F7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 0.7332836706818184,
"spacegroup": 74
}
]
}