Tb2Ga5Cu4
Alexandria ALEXAlex-ID: agm003365713 · 空间群: Fmmm (#69)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B4C5_92_spg69
Tb2Ga5Cu3 Cu
2022-02-05 02:09:44.386412
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003365713).
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 agm003365713
data_agm003365713
_cell_length_a 5.50640
_cell_length_b 5.40302
_cell_length_c 8.00426
_cell_angle_alpha 79.90541
_cell_angle_beta 69.88127
_cell_angle_gamma 59.36506
_cell_volume 192.39744
_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 0.86106 0.00000 0.27788 1.00000
Tb2 Tb 0.13894 1.00000 0.72212 1.00000
Ga1 Ga 0.50000 0.00000 0.00000 1.00000
Ga2 Ga 0.00000 0.50000 0.00000 1.00000
Ga3 Ga 0.50000 0.50000 0.00000 1.00000
Ga4 Ga 0.25000 0.50000 0.50000 1.00000
Ga5 Ga 0.75000 0.50000 0.50000 1.00000
Cu1 Cu 0.49536 0.28044 0.72883 1.00000
Cu2 Cu 0.50464 0.71956 0.27117 1.00000
Cu3 Cu 0.22420 0.28044 0.27117 1.00000
Cu4 Cu 0.77580 0.71956 0.72883 1.00000
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