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{
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{
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{
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"structure_string": "K1 Ca1 Sm1 Fe1 O6\n1.0\n0.000000 -4.118387 -4.118387\n4.118387 0.000000 -4.118387\n4.118387 -4.118387 0.000000\nK Ca Sm Fe O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Ca\n0.500000 0.500000 0.500000 Sm\n0.000000 0.000000 0.000000 Fe\n0.773907 0.226093 0.226093 O\n0.226093 0.773907 0.773907 O\n0.773907 0.226093 0.773907 O\n0.226093 0.773907 0.226093 O\n0.773907 0.773907 0.226093 O\n0.226093 0.226093 0.773907 O\n",
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{
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{
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{
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"structure_string": "K4 Ba4 Sr4 Mn4 O24\n1.0\n8.587014 0.000000 0.000000\n0.000000 8.656069 0.000000\n0.000000 0.000000 8.665473\nK Ba Sr Mn O\n4 4 4 4 24\ndirect\n0.000000 0.500000 0.500000 K\n0.500000 -0.000000 0.500000 K\n0.500000 -0.000000 -0.000000 K\n0.000000 0.500000 -0.000000 K\n0.500000 0.500000 -0.000000 Ba\n0.000000 -0.000000 0.500000 Ba\n0.000000 -0.000000 -0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.250000 Sr\n0.750000 0.250000 0.750000 Sr\n0.250000 0.750000 0.750000 Sr\n0.750000 0.750000 0.750000 Mn\n0.250000 0.250000 0.750000 Mn\n0.250000 0.750000 0.250000 Mn\n0.750000 0.250000 0.250000 Mn\n0.968008 0.219404 0.264287 O\n0.031992 0.780596 0.264287 O\n0.031992 0.219404 0.735713 O\n0.968008 0.780596 0.735713 O\n0.254057 0.968289 0.229741 O\n0.254057 0.031711 0.770259 O\n0.745943 0.031711 0.229741 O\n0.745943 0.968289 0.770259 O\n0.233148 0.265632 0.967858 O\n0.766852 0.265632 0.032142 O\n0.233148 0.734368 0.032142 O\n0.766852 0.734368 0.967858 O\n0.531992 0.280596 0.235713 O\n0.468008 0.719404 0.235713 O\n0.468008 0.280596 0.764287 O\n0.531992 0.719404 0.764287 O\n0.245943 0.531711 0.270259 O\n0.245943 0.468289 0.729741 O\n0.754057 0.468289 0.270259 O\n0.754057 0.531711 0.729741 O\n0.266852 0.234368 0.532142 O\n0.733148 0.234368 0.467858 O\n0.266852 0.765632 0.467858 O\n0.733148 0.765632 0.532142 O\n",
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"O"
],
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"density_atomic": 0.06675012531619291,
"volume": 149.81245282507507,
"volume_molar": 9.021916785134616,
"formula_full": "K1 La1 Gd1 Sb1 O6",
"formula_reduced": "KLaGdSbO6",
"formula_anonymous": "ABCDE6",
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"energy_per_atom": -8.237865332,
"energy_above_hull": null,
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"energy_uncorrected": -78.25665332,
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"updated_at": "2021-11-28T01:38:29.438000Z",
"spacegroup": 216
},
{
"id": "mp-1521141",
"created_at": "2022-09-04T14:48:02.105239Z",
"structure_string": "Na1 Ca1 Hf1 Nb1 O6\n1.0\n-0.000000 -4.057222 -4.057222\n4.057222 -0.000000 -4.057222\n4.057222 -4.057222 0.000000\nNa Ca Hf Nb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Nb\n0.746352 0.253648 0.253648 O\n0.253648 0.746352 0.746352 O\n0.746352 0.253648 0.746352 O\n0.253648 0.746352 0.253648 O\n0.746352 0.746352 0.253648 O\n0.253648 0.253648 0.746352 O\n",
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],
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"density_atomic": 0.07486583781403919,
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"volume_molar": 8.043910194337931,
"formula_full": "Na1 Ca1 Hf1 Nb1 O6",
"formula_reduced": "NaCaHfNbO6",
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"updated_at": "2021-11-28T01:38:21.406000Z",
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}
]
}