Tm5(GaAs)2
Alexandria ALEXAlex-ID: agm009079309 · 空间群: Cmce (#64)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C5_726_spg64
Tm3Ga2 TmAs
2024-03-04 17:35:07.548824
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009079309).
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}
}
晶体结构 3D 渲染
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm009079309
data_agm009079309
_cell_length_a 8.24548
_cell_length_b 8.24548
_cell_length_c 7.57864
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 125.31490
_cell_volume 420.44186
_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 0.50000 0.50000 0.50000 1.00000
Tm2 Tm 0.00000 0.00000 0.00000 1.00000
Tm3 Tm 0.31010 0.03176 0.66503 1.00000
Tm4 Tm 0.96824 0.68990 0.33497 1.00000
Tm5 Tm 0.46824 0.18990 0.16503 1.00000
Tm6 Tm 0.81010 0.53176 0.83497 1.00000
Tm7 Tm 0.68990 0.96824 0.33497 1.00000
Tm8 Tm 0.03176 0.31010 0.66503 1.00000
Tm9 Tm 0.53176 0.81010 0.83497 1.00000
Tm10 Tm 0.18990 0.46824 0.16503 1.00000
Ga1 Ga 0.37546 0.37546 0.87693 1.00000
Ga2 Ga 0.62454 0.62454 0.12307 1.00000
Ga3 Ga 0.12454 0.12454 0.37693 1.00000
Ga4 Ga 0.87546 0.87546 0.62307 1.00000
As1 As 0.70157 0.29843 0.50000 1.00000
As2 As 0.20157 0.79843 0.00000 1.00000
As3 As 0.29843 0.70157 0.50000 1.00000
As4 As 0.79843 0.20157 0.00000 1.00000
获取直接链接