TaRh2
Alexandria ALEXAlex-ID: agm003201853 · 空间群: Cmmm (#65)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2_40_spg65
TaRh2
2021-12-03 04:32:47.808901
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003201853).
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 agm003201853
data_agm003201853
_cell_length_a 3.84151
_cell_length_b 6.35335
_cell_length_c 3.94755
_cell_angle_alpha 71.89349
_cell_angle_beta 89.99989
_cell_angle_gamma 89.96819
_cell_volume 91.57478
_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
Rh1 Rh 0.66624 0.75298 0.00355 1.00000
Rh2 Rh 0.16564 0.08710 0.83639 1.00000
Rh3 Rh 0.66564 0.08710 0.33639 1.00000
Rh4 Rh 0.66503 0.42122 0.66928 1.00000
Ta1 Ta 0.16601 0.77817 0.49098 1.00000
Ta2 Ta 0.16530 0.39617 0.18175 1.00000
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