Ta3Rh8
Alexandria ALEXAlex-ID: agm005536618 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B8_101_spg12
TaRh2 TaRh3
2023-05-28 05:48:53.370542
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005536618).
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 agm005536618
data_agm005536618
_cell_length_a 4.71534
_cell_length_b 6.84158
_cell_length_c 6.90701
_cell_angle_alpha 121.78571
_cell_angle_beta 86.35490
_cell_angle_gamma 112.11690
_cell_volume 172.88020
_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
Ta1 Ta 0.50000 0.00000 0.50000 1.00000
Ta2 Ta 1.00000 0.50000 0.50000 1.00000
Ta3 Ta 0.50000 0.50000 0.00000 1.00000
Rh1 Rh 0.85865 0.27801 0.00002 1.00000
Rh2 Rh 0.20287 0.99993 0.82354 1.00000
Rh3 Rh 0.87599 0.75251 0.37636 1.00000
Rh4 Rh 0.41952 0.27848 0.27794 1.00000
Rh5 Rh 0.58048 0.72152 0.72206 1.00000
Rh6 Rh 0.12402 0.24749 0.62363 1.00000
Rh7 Rh 0.79713 0.00007 0.17646 1.00000
Rh8 Rh 0.14135 0.72199 0.99998 1.00000
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