Tb2Al6Cu2Ge3
Alexandria ALEXAlex-ID: agm009180801 · 空间群: I4mm (#107)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C3D6_7_spg107
Tb2AlGe3 Tb(AlGe)2 TbAl8Cu4Ge TbAlGe
2024-05-01 21:12:03.778605
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009180801).
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 agm009180801
data_agm009180801
_cell_length_a 14.60596
_cell_length_b 14.60596
_cell_length_c 14.60596
_cell_angle_alpha 163.96541
_cell_angle_beta 163.96541
_cell_angle_gamma 22.75159
_cell_volume 237.68829
_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 0.14830 0.14830 0.00000 1.00000
Tb2 Tb 0.84778 0.84778 0.00000 1.00000
Al1 Al 0.05541 0.55541 0.50000 1.00000
Al2 Al 0.55541 0.05541 0.50000 1.00000
Al3 Al 0.95553 0.45553 0.50000 1.00000
Al4 Al 0.45553 0.95553 0.50000 1.00000
Al5 Al 0.24506 0.74506 0.50000 1.00000
Al6 Al 0.74506 0.24506 0.50000 1.00000
Cu1 Cu 0.00333 0.00333 0.00000 1.00000
Cu2 Cu 0.60365 0.60365 0.00000 1.00000
Ge1 Ge 0.39675 0.39675 0.00000 1.00000
Ge2 Ge 0.68595 0.68595 0.00000 1.00000
Ge3 Ge 0.30225 0.30225 0.00000 1.00000
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