Tb2Ga3Cu12Pd
Alexandria ALEXAlex-ID: agm004500310 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3D12_97_spg166
Tb3Ga5Cu6 TbGa2Pd TbGaPd Cu
2022-06-19 09:07:53.982287
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004500310).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
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# CIF generated by HEAS from Alexandria entry agm004500310
data_agm004500310
_cell_length_a 11.95693
_cell_length_b 11.95693
_cell_length_c 11.95693
_cell_angle_alpha 25.81970
_cell_angle_beta 25.81970
_cell_angle_gamma 25.81970
_cell_volume 285.58114
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Tb1 Tb 0.64247 0.64247 0.64247 1.00000
Tb2 Tb 0.35753 0.35753 0.35753 1.00000
Ga1 Ga 0.50000 0.00000 0.00000 1.00000
Ga2 Ga 0.00000 0.50000 0.00000 1.00000
Ga3 Ga 0.00000 0.00000 0.50000 1.00000
Cu1 Cu 0.40024 0.40024 0.86522 1.00000
Cu2 Cu 0.88973 0.88973 0.39428 1.00000
Cu3 Cu 0.39428 0.88973 0.88973 1.00000
Cu4 Cu 0.86522 0.40024 0.40024 1.00000
Cu5 Cu 0.88973 0.39428 0.88973 1.00000
Cu6 Cu 0.40024 0.86522 0.40024 1.00000
Cu7 Cu 0.59976 0.59976 0.13478 1.00000
Cu8 Cu 0.11027 0.11027 0.60572 1.00000
Cu9 Cu 0.60572 0.11027 0.11027 1.00000
Cu10 Cu 0.13478 0.59976 0.59976 1.00000
Cu11 Cu 0.11027 0.60572 0.11027 1.00000
Cu12 Cu 0.59976 0.13478 0.59976 1.00000
Pd1 Pd 0.00000 0.00000 0.00000 1.00000
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