La3PdRh8
Alexandria ALEXAlex-ID: agm006002139 · 空间群: R3m (#160)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C8_29_spg160
LaRh3 LaPd3
2023-09-09 16:36:31.553314
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006002139).
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 agm006002139
data_agm006002139
_cell_length_a 5.38965
_cell_length_b 5.38965
_cell_length_c 9.34040
_cell_angle_alpha 73.23107
_cell_angle_beta 73.23107
_cell_angle_gamma 60.00000
_cell_volume 221.54953
_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
La1 La 0.62328 0.62328 0.13015 1.00000
La2 La 0.01087 0.01087 0.96741 1.00000
La3 La 0.49207 0.49207 0.52379 1.00000
Pd1 Pd 0.13429 0.13429 0.59712 1.00000
Rh1 Rh 0.56253 0.06194 0.81300 1.00000
Rh2 Rh 0.06033 0.55959 0.31974 1.00000
Rh3 Rh 0.56253 0.56253 0.81300 1.00000
Rh4 Rh 0.06033 0.06033 0.31974 1.00000
Rh5 Rh 0.81106 0.81106 0.56682 1.00000
Rh6 Rh 0.31117 0.31117 0.06649 1.00000
Rh7 Rh 0.06194 0.56253 0.81300 1.00000
Rh8 Rh 0.55959 0.06033 0.31974 1.00000
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