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"structure_string": "Sr2 Fe1 Sn1 O6\n1.0\n4.860364 -0.000000 2.806133\n1.620121 4.582395 2.806133\n-0.000000 -0.000000 5.612265\nSr Fe Sn O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.749999 0.750001 0.750000 Sr\n0.000000 0.000000 0.000000 Fe\n0.499999 0.500001 0.500000 Sn\n0.241017 0.241017 0.758984 O\n0.758982 0.758984 0.241017 O\n0.241016 0.758984 0.241017 O\n0.758982 0.241017 0.758984 O\n0.758982 0.241017 0.241017 O\n0.241016 0.758984 0.758983 O\n",
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"structure_string": "Li2 H6 Se4 O12\n1.0\n0.000000 5.449878 -0.002577\n7.881202 0.000000 0.000000\n0.000000 -3.788114 -5.998148\nLi H Se O\n2 6 4 12\ndirect\n0.480417 0.243104 0.002280 Li\n0.480418 0.756896 0.502280 Li\n0.570510 0.144327 0.668541 H\n0.570510 0.855673 0.168541 H\n0.463106 0.393054 0.391173 H\n0.463106 0.606945 0.891173 H\n0.970794 0.230424 0.447467 H\n0.970795 0.769576 0.947467 H\n0.139116 0.099564 0.223968 Se\n0.139116 0.900435 0.723968 Se\n0.865130 0.395824 0.776353 Se\n0.865129 0.604175 0.276353 Se\n0.399001 0.023495 0.479583 O\n0.672381 0.224619 0.808050 O\n0.672381 0.775381 0.308050 O\n0.295708 0.277898 0.193635 O\n0.295709 0.722101 0.693635 O\n0.067206 0.292665 0.699046 O\n0.067205 0.707334 0.199046 O\n0.887839 0.202545 0.284519 O\n0.887839 0.797455 0.784519 O\n0.574562 0.482424 0.519579 O\n0.574562 0.517576 0.019579 O\n0.399002 0.976505 0.979583 O\n",
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"structure_string": "Tb4 Mn2 Ni2 O12\n1.0\n0.000000 5.226265 -0.008477\n5.646660 0.000000 0.000000\n0.000000 -5.166352 -7.405094\nTb Mn Ni O\n4 2 2 12\ndirect\n0.770596 0.576666 0.250199 Tb\n0.770596 0.923334 0.750199 Tb\n0.229404 0.076666 0.249801 Tb\n0.229403 0.423334 0.749801 Tb\n0.500000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n-0.000000 0.000000 0.500000 Ni\n0.000000 0.500000 0.000000 Ni\n0.354458 0.030310 0.752231 O\n0.150388 0.185195 0.950593 O\n0.736888 0.203778 0.551411 O\n0.150388 0.314805 0.450593 O\n0.354458 0.469690 0.252231 O\n0.645542 0.969690 0.247769 O\n0.645542 0.530310 0.747769 O\n0.263111 0.796222 0.448589 O\n0.849611 0.685195 0.549406 O\n0.263111 0.703779 0.948588 O\n0.736888 0.296222 0.051412 O\n0.849611 0.814805 0.049407 O\n",
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"formula_reduced": "Tb2MnNiO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.439133744137931,
"spacegroup": 14
}
]
}