Pm4Ru2I5
Alexandria ALEXAlex-ID: agm005684601 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B4C5_4_spg71
Pm3RuI3 PmI3 Ru
2023-06-22 12:23:01.703852
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005684601).
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 agm005684601
data_agm005684601
_cell_length_a 4.25213
_cell_length_b 8.81225
_cell_length_c 11.21052
_cell_angle_alpha 113.14329
_cell_angle_beta 100.93239
_cell_angle_gamma 90.00000
_cell_volume 377.95758
_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
Pm1 Pm 0.67869 0.67869 0.35739 1.00000
Pm2 Pm 1.00000 0.29554 1.00000 1.00000
Pm3 Pm 0.32131 0.32131 0.64261 1.00000
Pm4 Pm 0.00000 0.70446 0.00000 1.00000
Ru1 Ru 0.55942 0.55942 0.11884 1.00000
Ru2 Ru 0.44058 0.44058 0.88116 1.00000
I1 I 0.16739 0.39178 0.33478 1.00000
I2 I 0.83261 0.60822 0.66522 1.00000
I3 I 0.16739 0.94299 0.33477 1.00000
I4 I 0.50000 0.00000 0.00000 1.00000
I5 I 0.83261 0.05701 0.66523 1.00000
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