LaPaRu2
Alexandria ALEXAlex-ID: agm005804761 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_955_spg11
La2PaRu3 PaRu
2023-07-13 09:58:22.104123
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005804761).
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 agm005804761
data_agm005804761
_cell_length_a 4.47210
_cell_length_b 5.95925
_cell_length_c 7.48068
_cell_angle_alpha 115.41182
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 180.07387
_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 0.25000 0.26642 0.09207 1.00000
La2 La 0.75000 0.73358 0.90793 1.00000
Pa1 Pa 0.75000 0.75061 0.39696 1.00000
Pa2 Pa 0.25000 0.24939 0.60304 1.00000
Ru1 Ru 0.25000 0.84249 0.24319 1.00000
Ru2 Ru 0.75000 0.15751 0.75681 1.00000
Ru3 Ru 0.75000 0.29652 0.41877 1.00000
Ru4 Ru 0.25000 0.70348 0.58123 1.00000
获取直接链接