CePm2Rh3
Alexandria ALEXAlex-ID: agm043602271 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_36_spg70
CePm2Rh3
2024-12-10 07:35:04
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm043602271).
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 agm043602271
data_agm043602271
_cell_length_a 5.85611
_cell_length_b 7.71453
_cell_length_c 13.14318
_cell_angle_alpha 107.06791
_cell_angle_beta 84.40273
_cell_angle_gamma 109.34205
_cell_volume 535.58240
_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
Ce1 Ce 0.22398 0.88925 0.41555 1.00000
Ce2 Ce 0.77602 0.11075 0.58445 1.00000
Ce3 Ce 0.77029 0.27887 0.91875 1.00000
Ce4 Ce 0.22971 0.72113 0.08125 1.00000
Pm1 Pm 0.77823 0.44661 0.25572 1.00000
Pm2 Pm 0.22897 0.38954 0.41668 1.00000
Pm3 Pm 0.77103 0.61046 0.58332 1.00000
Pm4 Pm 0.22177 0.55339 0.74428 1.00000
Pm5 Pm 0.20859 0.05505 0.75619 1.00000
Pm6 Pm 0.77682 0.77361 0.91430 1.00000
Pm7 Pm 0.22318 0.22639 0.08570 1.00000
Pm8 Pm 0.79141 0.94495 0.24381 1.00000
Rh1 Rh 0.68436 0.23618 0.42169 1.00000
Rh2 Rh 0.69341 0.77778 0.42050 1.00000
Rh3 Rh 0.31564 0.76382 0.57831 1.00000
Rh4 Rh 0.30659 0.22222 0.57950 1.00000
Rh5 Rh 0.67213 0.39407 0.74917 1.00000
Rh6 Rh 0.66985 0.94408 0.75294 1.00000
Rh7 Rh 0.30815 0.42849 0.92168 1.00000
Rh8 Rh 0.31446 0.89884 0.92169 1.00000
Rh9 Rh 0.69185 0.57151 0.07832 1.00000
Rh10 Rh 0.68554 0.10116 0.07831 1.00000
Rh11 Rh 0.32787 0.60593 0.25083 1.00000
Rh12 Rh 0.33015 0.05592 0.24706 1.00000
