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{
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{
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"structure_string": "Ba2 Gd2 Fe8 O14\n1.0\n3.240468 -5.711240 0.000000\n3.240468 5.711240 0.000000\n0.000000 0.000000 10.630452\nBa Gd Fe O\n2 2 8 14\ndirect\n0.693200 0.306800 0.979711 Ba\n0.306800 0.693200 0.479711 Ba\n0.660669 0.339331 0.373053 Gd\n0.339331 0.660669 0.873053 Gd\n0.166701 0.833299 0.179492 Fe\n0.175489 0.346845 0.186196 Fe\n0.653155 0.824511 0.186196 Fe\n0.833299 0.166701 0.679492 Fe\n0.824511 0.653155 0.686196 Fe\n0.346845 0.175489 0.686196 Fe\n0.994685 0.005315 0.940405 Fe\n0.005315 0.994685 0.440405 Fe\n0.478746 0.521254 0.283209 O\n0.481667 0.998028 0.245443 O\n0.001972 0.518333 0.245443 O\n0.521254 0.478746 0.783209 O\n0.518333 0.001972 0.745443 O\n0.998028 0.481667 0.745443 O\n0.164782 0.835218 0.000435 O\n0.132208 0.339456 0.000802 O\n0.660544 0.867792 0.000802 O\n0.835218 0.164782 0.500435 O\n0.867792 0.660544 0.500802 O\n0.339456 0.132208 0.500802 O\n0.992329 0.007671 0.742013 O\n0.007671 0.992329 0.242013 O\n",
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],
"chemical_system": "Ba-Fe-Gd-O",
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"density_atomic": 0.06607748027447044,
"volume": 393.4774735961793,
"volume_molar": 9.113756661097597,
"formula_full": "Ba2 Gd2 Fe8 O14",
"formula_reduced": "BaGdFe4O7",
"formula_anonymous": "ABC4D7",
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"energy_uncorrected": -198.502981,
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"updated_at": "2021-11-28T01:34:48.847000Z",
"spacegroup": 36
},
{
"id": "mp-20989",
"created_at": "2022-09-04T14:43:22.319930Z",
"structure_string": "Ba1 Gd1 Fe2 O5\n1.0\n3.995565 0.000000 0.000000\n0.000000 3.995565 0.000000\n0.000000 0.000000 7.629243\nBa Gd Fe O\n1 1 2 5\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Gd\n0.500000 0.500000 0.266750 Fe\n0.500000 0.500000 0.733250 Fe\n0.500000 0.000000 0.309866 O\n0.500000 0.000000 0.690134 O\n0.000000 0.500000 0.309866 O\n0.000000 0.500000 0.690134 O\n0.500000 0.500000 0.000000 O\n",
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],
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"volume": 121.79735251965715,
"volume_molar": 8.14978667854129,
"formula_full": "Ba1 Gd1 Fe2 O5",
"formula_reduced": "BaGdFe2O5",
"formula_anonymous": "ABC2D5",
"energy": -80.48788760000001,
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"updated_at": "2021-11-28T01:36:17.421000Z",
"spacegroup": 123
},
{
"id": "mp-1095273",
"created_at": "2022-09-04T14:43:39.758332Z",
"structure_string": "Ba2 Gd2 Cu2 Te6\n1.0\n2.249189 -7.446067 0.000000\n2.249189 7.446067 0.000000\n0.000000 0.000000 11.514338\nBa Gd Cu Te\n2 2 2 6\ndirect\n0.250280 0.749720 0.250000 Ba\n0.749720 0.250280 0.750000 Ba\n0.000000 0.000000 0.500000 Gd\n0.000000 0.000000 0.000000 Gd\n0.533465 0.466535 0.250000 Cu\n0.466535 0.533465 0.750000 Cu\n0.637923 0.362077 0.437495 Te\n0.362077 0.637923 0.562505 Te\n0.637923 0.362077 0.062505 Te\n0.362077 0.637923 0.937495 Te\n0.929509 0.070491 0.250000 Te\n0.070491 0.929509 0.750000 Te\n",
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"chemical_system": "Ba-Cu-Gd-Te",
"density": 6.38014148292846,
"density_atomic": 0.03111425351259565,
"volume": 385.6753302836646,
"volume_molar": 19.35492605523099,
"formula_full": "Ba2 Gd2 Cu2 Te6",
"formula_reduced": "BaGdCuTe3",
"formula_anonymous": "ABCD3",
"energy": -76.68837368,
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]
}