TmBeGa2Au5
Alexandria ALEXAlex-ID: agm005178477 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D5_208_spg71
BeAu Ga2Au TmAu3
2023-01-21 04:07:05.227947
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005178477).
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 agm005178477
data_agm005178477
_cell_length_a 4.44929
_cell_length_b 6.01431
_cell_length_c 7.57255
_cell_angle_alpha 113.39781
_cell_angle_beta 107.08423
_cell_angle_gamma 90.00000
_cell_volume 176.18903
_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
Tm1 Tm 0.00000 0.50000 0.00000 1.00000
Be1 Be 0.50000 0.00000 0.00000 1.00000
Ga1 Ga 0.19926 0.19926 0.39852 1.00000
Ga2 Ga 0.80074 0.80074 0.60148 1.00000
Au1 Au 0.63365 0.86968 0.26730 1.00000
Au2 Au 0.36635 0.13032 0.73270 1.00000
Au3 Au 0.36635 0.60238 0.73270 1.00000
Au4 Au 0.63365 0.39762 0.26730 1.00000
Au5 Au 0.00000 0.00000 0.00000 1.00000
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