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"structure_string": "Tm4 Pb4 O14\n1.0\n-5.323743 5.323743 -0.000000\n5.323743 0.000000 5.323743\n5.323743 5.323743 -0.000000\nTm Pb O\n4 4 14\ndirect\n0.500000 0.000000 0.000000 Tm\n0.500000 0.000000 0.500000 Tm\n0.500000 0.500000 0.500000 Tm\n0.000000 0.500000 0.500000 Tm\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.000000 Pb\n0.000000 0.500000 0.000000 Pb\n0.000000 0.000000 0.500000 Pb\n0.352945 0.250000 0.897054 O\n0.102945 0.205891 0.647054 O\n0.102945 0.750000 0.102945 O\n0.647054 0.750000 0.647054 O\n0.375000 0.750000 0.375000 O\n0.625000 0.250000 0.625000 O\n0.647054 0.750000 0.102945 O\n0.897054 0.794108 0.352945 O\n0.352945 0.250000 0.352945 O\n0.352945 0.705891 0.897054 O\n0.647054 0.294108 0.102945 O\n0.897054 0.250000 0.352945 O\n0.897054 0.250000 0.897054 O\n0.102945 0.750000 0.647054 O\n",
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"structure_string": "La1 Mo6 Se4 S4\n1.0\n6.685316 -0.016871 -0.113950\n-0.029655 6.687033 -0.050040\n-0.023061 -0.021799 6.750772\nLa Mo Se S\n1 6 4 4\ndirect\n0.992145 0.015567 0.998826 La\n0.235696 0.554941 0.577042 Mo\n0.560568 0.418298 0.762358 Mo\n0.418373 0.231634 0.441560 Mo\n0.769392 0.438334 0.421344 Mo\n0.441284 0.575660 0.236016 Mo\n0.585323 0.767781 0.556166 Mo\n0.381701 0.757920 0.878484 Se\n0.241023 0.876258 0.372272 Se\n0.885930 0.626251 0.758795 Se\n0.618339 0.239352 0.118796 Se\n0.243128 0.241871 0.750913 S\n0.760251 0.752333 0.246701 S\n0.740391 0.129200 0.620389 S\n0.126455 0.374599 0.260335 S\n",
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"structure_string": "Li4 Mn4 P4 O16\n1.0\n5.250452 -0.080429 -0.000000\n0.748302 9.388261 -0.000001\n-0.000000 -0.000001 6.114365\nLi Mn P O\n4 4 4 16\ndirect\n0.169206 0.927938 0.640924 Li\n0.330792 0.572062 0.140924 Li\n0.669206 0.427938 0.859077 Li\n0.830792 0.072062 0.359076 Li\n0.222868 0.330518 0.609004 Mn\n0.277130 0.169482 0.109003 Mn\n0.722868 0.830518 0.890997 Mn\n0.777130 0.669482 0.390998 Mn\n0.260568 0.633432 0.651749 P\n0.239431 0.866568 0.151748 P\n0.760567 0.133432 0.848252 P\n0.739432 0.366568 0.348253 P\n0.485832 0.763560 0.165415 O\n0.492284 0.729192 0.646418 O\n0.507717 0.270808 0.353583 O\n0.785194 0.023355 0.660205 O\n0.261779 0.953305 0.938249 O\n0.214805 0.976644 0.339795 O\n0.285194 0.523355 0.839795 O\n0.992283 0.229192 0.853583 O\n0.985831 0.263560 0.334586 O\n0.014169 0.736440 0.665415 O\n0.714805 0.476644 0.160205 O\n0.761779 0.453305 0.561751 O\n0.738219 0.046695 0.061751 O\n0.007716 0.770808 0.146417 O\n0.238219 0.546695 0.438249 O\n0.514169 0.236440 0.834587 O\n",
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{
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"structure_string": "In4 Fe2 S8\n1.0\n6.519989 -0.000000 3.764317\n2.173330 6.147104 3.764317\n0.000000 0.000000 7.528634\nIn Fe S\n4 2 8\ndirect\n0.500000 0.500000 0.000000 In\n0.500000 0.500000 0.500000 In\n0.000000 0.500000 0.500000 In\n0.500000 -0.000000 0.500000 In\n0.875000 0.874999 0.875000 Fe\n0.125000 0.125000 0.125000 Fe\n0.749170 0.749169 0.749170 S\n0.250831 0.250830 0.747508 S\n0.250831 0.747508 0.250831 S\n0.747509 0.250830 0.250831 S\n0.749170 0.252492 0.749169 S\n0.252492 0.749169 0.749170 S\n0.250831 0.250830 0.250831 S\n0.749170 0.749169 0.252492 S\n",
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{
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"structure_string": "Nb4 Tl2 O14\n1.0\n6.543695 -0.009933 -3.791708\n-2.064764 6.095468 -3.972294\n-0.006582 0.009933 7.562867\nNb Tl O\n4 2 14\ndirect\n0.500000 0.000000 0.000000 Nb\n0.500001 0.500000 0.500001 Nb\n0.500000 0.000000 0.500000 Nb\n0.000000 0.000000 0.000000 Nb\n0.000000 0.500000 0.000001 Tl\n0.000000 -0.000000 0.500000 Tl\n0.571994 0.314026 0.627508 O\n0.186519 0.944487 0.872494 O\n0.571995 0.944487 0.257969 O\n0.186518 0.314026 0.242033 O\n0.562685 0.312684 0.250001 O\n0.189698 0.939697 0.250001 O\n0.428007 0.055513 0.742033 O\n0.813483 0.055514 0.127508 O\n0.910287 0.660286 0.250001 O\n0.813484 0.685975 0.757969 O\n0.437317 0.687316 0.750001 O\n0.810304 0.060303 0.750001 O\n0.428008 0.685975 0.372493 O\n0.089715 0.339715 0.750001 O\n",
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{
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"created_at": "2022-09-04T14:37:59.504716Z",
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"structure_string": "Rb2 Na1 Sb1 Cl6\n1.0\n0.000000 5.323230 5.323230\n5.323230 0.000000 5.323230\n5.323230 5.323230 -0.000000\nRb Na Sb Cl\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Sb\n0.248423 0.751577 0.751577 Cl\n0.248423 0.751577 0.248423 Cl\n0.751577 0.248423 0.751577 Cl\n0.751577 0.751577 0.248423 Cl\n0.248423 0.248423 0.751577 Cl\n0.751577 0.248423 0.248423 Cl\n",
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{
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"created_at": "2022-09-04T14:38:49.043615Z",
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"structure_string": "K2 Na1 Eu1 Cl6\n1.0\n6.519494 -0.000000 3.764032\n2.173165 6.146638 3.764032\n-0.000000 -0.000000 7.528063\nK Na Eu Cl\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.499999 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Eu\n0.749003 0.250996 0.250996 Cl\n0.250996 0.250996 0.749004 Cl\n0.250995 0.749004 0.749004 Cl\n0.250995 0.749004 0.250996 Cl\n0.749003 0.250996 0.749004 Cl\n0.749003 0.749004 0.250996 Cl\n",
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"structure_string": "Tb6 Nb2 O14\n1.0\n5.296261 3.792355 0.000000\n-5.296261 3.792355 0.000000\n0.000000 0.000000 7.509756\nTb Nb O\n6 2 14\ndirect\n0.000547 0.463055 0.489901 Tb\n0.536946 0.999454 0.510100 Tb\n0.465623 0.465623 0.750000 Tb\n0.534378 0.534378 0.250000 Tb\n0.999454 0.536946 0.989901 Tb\n0.463055 0.000547 0.010100 Tb\n0.002017 0.002017 0.250000 Nb\n0.997984 0.997984 0.750000 Nb\n0.308238 0.051778 0.296501 O\n0.948223 0.691764 0.703499 O\n0.629414 0.370587 0.000000 O\n0.915885 0.669326 0.272968 O\n0.330675 0.084116 0.727033 O\n0.084116 0.330675 0.772968 O\n0.051778 0.308238 0.203499 O\n0.370587 0.629414 0.500000 O\n0.691764 0.948223 0.796502 O\n0.638570 0.361431 0.500000 O\n0.361431 0.638570 0.000000 O\n0.071623 0.928378 0.000000 O\n0.669326 0.915885 0.227032 O\n0.928378 0.071623 0.500000 O\n",
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"structure_string": "Li4 Mn8 O12 F4\n1.0\n5.755915 -0.019910 -0.000069\n0.019749 6.058969 -0.000005\n0.000104 0.000006 8.648422\nLi Mn O F\n4 8 12 4\ndirect\n0.969146 -0.000031 0.024198 Li\n0.469146 -0.000031 0.225802 Li\n0.530855 0.500032 0.524198 Li\n0.030854 0.500032 0.725802 Li\n0.500000 0.750001 0.875001 Mn\n0.500000 0.250000 0.875000 Mn\n0.251430 0.000021 0.615482 Mn\n0.748570 0.499980 0.134518 Mn\n0.000000 0.250000 0.375000 Mn\n0.248569 0.499980 0.115483 Mn\n0.751431 0.000021 0.634517 Mn\n0.000000 0.750000 0.375000 Mn\n0.998516 0.214104 0.599649 O\n0.998450 0.785933 0.599647 O\n0.498450 0.785933 0.650353 O\n0.498515 0.214105 0.650351 O\n0.001485 0.285896 0.150352 O\n0.501551 0.714068 0.099647 O\n0.200525 0.000037 0.364506 O\n0.501485 0.285896 0.099649 O\n0.700525 0.000038 0.885493 O\n0.299474 0.499964 0.864506 O\n0.799474 0.499963 0.385494 O\n0.001550 0.714068 0.150354 O\n0.214754 -0.000055 0.881667 F\n0.714754 -0.000056 0.368332 F\n0.285246 0.500056 0.381668 F\n0.785246 0.500057 0.868332 F\n",
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"structure_string": "Li4 Ni3 Sb1 P4 O16\n1.0\n6.196045 0.000000 0.000000\n0.000000 4.746154 0.082235\n0.000000 0.061421 10.256820\nLi Ni Sb P O\n4 3 1 4 16\ndirect\n0.249143 0.002079 0.024101 Li\n0.750856 0.002079 0.024101 Li\n0.743776 0.488107 0.476598 Li\n0.256223 0.488107 0.476598 Li\n0.500000 0.973795 0.274188 Ni\n0.500000 0.541289 0.784489 Ni\n0.000000 0.462463 0.221752 Ni\n0.000000 0.023449 0.716432 Sb\n0.500000 0.091852 0.582361 P\n0.500000 0.422830 0.096296 P\n0.000000 0.577927 0.922810 P\n0.000000 0.907395 0.396669 P\n0.697710 0.237530 0.648384 O\n0.000000 0.231092 0.400970 O\n0.000000 0.256225 0.930991 O\n0.299392 0.285192 0.166736 O\n0.700608 0.285192 0.166736 O\n0.500000 0.308607 0.954909 O\n0.000000 0.715508 0.057653 O\n0.203386 0.778195 0.332541 O\n0.197354 0.704153 0.842454 O\n0.500000 0.747972 0.099384 O\n0.500000 0.770944 0.599116 O\n0.796613 0.778195 0.332541 O\n0.302289 0.237530 0.648384 O\n0.000000 0.773018 0.541040 O\n0.802645 0.704153 0.842454 O\n0.500000 0.205105 0.439317 O\n",
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"formula_reduced": "Li4Ni3Sb(PO4)4",
"formula_anonymous": "AB3C4D4E16",
"energy_above_hull": 2.5874018321428567,
"spacegroup": 6
}
]
}