Tb2GaAg3
Alexandria ALEXAlex-ID: agm005809998 · 空间群: Imm2 (#44)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_55_spg44
TbAg2 TbGaAg
2023-08-18 00:41:02.543538
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005809998).
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 agm005809998
data_agm005809998
_cell_length_a 3.71042
_cell_length_b 4.32424
_cell_length_c 9.14976
_cell_angle_alpha 103.66847
_cell_angle_beta 101.69844
_cell_angle_gamma 90.00000
_cell_volume 139.50753
_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 0.11709 0.11709 0.23417 1.00000
Tb2 Tb 0.88143 0.38143 0.76287 1.00000
Ga1 Ga 0.45987 0.95987 0.91973 1.00000
Ag1 Ag 0.69526 0.69526 0.39051 1.00000
Ag2 Ag 0.53790 0.53790 0.07580 1.00000
Ag3 Ag 0.30846 0.80846 0.61692 1.00000
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