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},
{
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"structure_string": "Li4 Mn6 Te2 O16\n1.0\n-3.061234 5.318408 0.018857\n-0.033794 -3.548065 4.951571\n6.336014 7.232972 5.003794\nLi Mn Te O\n4 6 2 16\ndirect\n0.853743 0.924088 0.209912 Li\n0.860554 0.420242 0.709418 Li\n0.139537 0.579858 0.290578 Li\n0.146444 0.076200 0.790105 Li\n0.000218 0.500429 0.000023 Mn\n0.500346 0.500045 0.999962 Mn\n0.500270 0.999936 0.999932 Mn\n0.999839 0.999871 0.500017 Mn\n0.499534 0.999734 0.500245 Mn\n0.499693 0.499850 0.499913 Mn\n0.514427 0.748452 0.750038 Te\n0.485436 0.251321 0.249999 Te\n0.739445 0.848190 0.409228 O\n0.701353 0.347382 0.909180 O\n0.299189 0.652771 0.090800 O\n0.260080 0.151688 0.590726 O\n0.742380 0.081266 0.632288 O\n0.707138 0.583672 0.132105 O\n0.734448 0.631232 0.636656 O\n0.708843 0.132553 0.138982 O\n0.289135 0.628055 0.636214 O\n0.266703 0.130892 0.134270 O\n0.733522 0.869083 0.865615 O\n0.710583 0.371830 0.363828 O\n0.291435 0.867670 0.861047 O\n0.265289 0.368583 0.363235 O\n0.292983 0.416446 0.867969 O\n0.257431 0.918662 0.367717 O\n",
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],
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"formula_full": "Li4 Mn6 Te2 O16",
"formula_reduced": "Li2Mn3TeO8",
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{
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"structure_string": "Er4 Ga18 Rh6\n1.0\n3.789830 -6.549709 0.000000\n3.789830 6.549709 0.000000\n0.000000 0.000000 9.519372\nEr Ga Rh\n4 18 6\ndirect\n0.996804 0.667608 0.250000 Er\n0.003196 0.332392 0.750000 Er\n0.667608 0.996804 0.250000 Er\n0.332392 0.003196 0.750000 Er\n0.124594 0.124594 0.250000 Ga\n0.875406 0.875406 0.750000 Ga\n0.999845 0.333986 0.079231 Ga\n0.000155 0.666014 0.920769 Ga\n0.000155 0.666014 0.579231 Ga\n0.333986 0.999845 0.420769 Ga\n0.999845 0.333986 0.420769 Ga\n0.666014 0.000155 0.579231 Ga\n0.666014 0.000155 0.920769 Ga\n0.333986 0.999845 0.079231 Ga\n0.333106 0.333106 0.563763 Ga\n0.666894 0.666894 0.436237 Ga\n0.666894 0.666894 0.063763 Ga\n0.333106 0.333106 0.936237 Ga\n0.338061 0.547595 0.250000 Ga\n0.661939 0.452405 0.750000 Ga\n0.547595 0.338061 0.250000 Ga\n0.452405 0.661939 0.750000 Ga\n0.671721 0.328279 0.000000 Rh\n0.328279 0.671721 0.000000 Rh\n0.328279 0.671721 0.500000 Rh\n0.671721 0.328279 0.500000 Rh\n0.000000 0.000000 0.000000 Rh\n0.000000 0.000000 0.500000 Rh\n",
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"elements": [
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],
"chemical_system": "Er-Ga-Rh",
"density": 8.930099091345095,
"density_atomic": 0.05924858773116175,
"volume": 472.5851040880325,
"volume_molar": 10.164192921062083,
"formula_full": "Er4 Ga18 Rh6",
"formula_reduced": "Er2(Ga3Rh)3",
"formula_anonymous": "A2B3C9",
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"spacegroup": 63
},
{
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"created_at": "2022-09-04T14:40:34.505016Z",
"structure_string": "K1 Rb2 Rh1 F6\n1.0\n0.000000 4.542718 4.542718\n4.542718 0.000000 4.542718\n4.542718 4.542718 0.000000\nK Rb Rh F\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Rh\n0.778178 0.221822 0.221822 F\n0.221822 0.221822 0.778178 F\n0.221822 0.778178 0.778178 F\n0.221822 0.778178 0.221822 F\n0.778178 0.221822 0.778178 F\n0.778178 0.778178 0.221822 F\n",
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"volume": 187.48966324911234,
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"formula_full": "K1 Rb2 Rh1 F6",
"formula_reduced": "KRb2RhF6",
"formula_anonymous": "ABC2D6",
"energy": -48.19316318,
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"updated_at": "2021-11-28T01:35:07.513000Z",
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}
]
}