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"structure_string": "Li5 V1 Cr3 O8\n1.0\n-2.838446 -1.677988 -4.855197\n-2.838446 -5.136976 -0.007533\n-5.869003 -0.010557 -0.007533\nLi V Cr O\n5 1 3 8\ndirect\n0.931606 0.931609 0.931607 Li\n0.000001 0.000001 0.500000 Li\n0.068393 0.068393 0.068393 Li\n0.500000 0.000001 0.000001 Li\n0.000001 0.500000 0.000001 Li\n0.500000 0.500001 0.500000 V\n-0.000001 0.500001 0.500000 Cr\n0.500000 0.500001 0.000000 Cr\n0.500000 0.000000 0.500000 Cr\n0.253021 0.734092 0.253022 O\n0.743245 0.743247 0.743246 O\n0.746978 0.265910 0.746978 O\n0.265908 0.746980 0.746978 O\n0.746978 0.746979 0.265909 O\n0.253021 0.253022 0.734091 O\n0.734091 0.253022 0.253022 O\n0.256754 0.256755 0.256754 O\n",
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"structure_string": "Rb2 In2 Te4\n1.0\n7.038350 0.024812 -1.902169\n-4.120449 5.706216 -1.902169\n-0.012633 -0.024812 7.290848\nRb In Te\n2 2 4\ndirect\n0.750000 0.750000 -0.000000 Rb\n0.250000 0.250000 -0.000000 Rb\n0.750000 0.250000 0.500000 In\n0.250000 0.750001 0.500000 In\n0.326679 0.173322 0.500000 Te\n0.173322 0.673322 0.846644 Te\n0.826679 0.326679 0.153356 Te\n0.673322 0.826679 0.500000 Te\n",
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{
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"structure_string": "Rb4 Mn2 Te4\n1.0\n6.508175 -0.000000 -2.765329\n-1.382793 6.720078 -3.254393\n-0.029653 0.048206 8.971342\nRb Mn Te\n4 2 4\ndirect\n0.144397 0.469688 0.288794 Rb\n0.644398 0.819106 0.288794 Rb\n0.855605 0.530313 0.711207 Rb\n0.355604 0.180895 0.711207 Rb\n0.750001 0.000000 0.000000 Mn\n0.250000 0.000000 0.000000 Mn\n0.894939 0.087063 0.789876 Te\n0.105063 0.912938 0.210125 Te\n0.605063 0.297187 0.210125 Te\n0.394939 0.702814 0.789876 Te\n",
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{
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"structure_string": "Zn20 S20\n1.0\n3.840973 0.000000 -0.000000\n-1.920487 3.326381 0.000000\n0.000000 -0.000000 62.803735\nZn S\n20 20\ndirect\n0.333332 0.666667 0.050048 Zn\n0.000000 0.000000 0.750090 Zn\n0.333332 0.666667 0.199974 Zn\n0.333332 0.666667 0.849993 Zn\n0.000000 0.000000 0.149998 Zn\n0.000000 0.000000 0.899950 Zn\n0.333332 0.666667 0.400032 Zn\n0.000000 0.000000 0.449992 Zn\n0.000000 0.000000 0.000090 Zn\n0.666666 0.333333 0.600053 Zn\n0.666666 0.333333 0.249946 Zn\n0.000000 0.000000 0.649982 Zn\n0.666666 0.333333 0.100025 Zn\n0.666666 0.333333 0.950001 Zn\n0.666666 0.333333 0.499947 Zn\n0.666666 0.333333 0.350086 Zn\n0.000000 0.000000 0.300001 Zn\n0.333332 0.666667 0.700018 Zn\n0.666666 0.333333 0.800034 Zn\n0.333332 0.666667 0.549985 Zn\n0.333332 0.666667 0.237443 S\n0.000000 0.000000 0.487453 S\n0.666666 0.333333 0.987547 S\n0.000000 0.000000 0.687436 S\n0.666666 0.333333 0.637497 S\n0.666666 0.333333 0.137492 S\n0.333332 0.666667 0.737556 S\n0.666666 0.333333 0.537403 S\n0.666666 0.333333 0.387536 S\n0.333332 0.666667 0.587523 S\n0.000000 0.000000 0.037544 S\n0.333332 0.666667 0.087517 S\n0.666666 0.333333 0.287409 S\n0.333332 0.666667 0.887455 S\n0.000000 0.000000 0.937410 S\n0.666666 0.333333 0.837495 S\n0.000000 0.000000 0.337546 S\n0.333332 0.666667 0.437494 S\n0.000000 0.000000 0.787538 S\n0.000000 0.000000 0.187466 S\n",
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{
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"formula_full": "Nb8 Ni16 O36",
"formula_reduced": "Nb2Ni4O9",
"formula_anonymous": "A2B4C9",
"energy_above_hull": 2.939011993333333,
"spacegroup": 60
}
]
}