Ca(SmRh)2
Alexandria ALEXAlex-ID: agm003394792 · 空间群: P-3m1 (#164)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2_1006_spg164
Ca3Rh Sm5Rh4 SmRh
2022-02-09 21:49:38.574842
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003394792).
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 agm003394792
data_agm003394792
_cell_length_a 4.98936
_cell_length_b 7.65397
_cell_length_c 7.67450
_cell_angle_alpha 68.32894
_cell_angle_beta 70.96442
_cell_angle_gamma 70.98896
_cell_volume 250.33818
_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
Ca1 Ca 0.74970 0.75016 0.25014 1.00000
Ca2 Ca 0.25030 0.24984 0.74986 1.00000
Sm1 Sm 0.41151 0.42166 0.25479 1.00000
Sm2 Sm 0.91221 0.92136 0.75490 1.00000
Sm3 Sm 0.08779 0.07864 0.24510 1.00000
Sm4 Sm 0.58848 0.57834 0.74521 1.00000
Rh1 Rh 0.34232 0.82477 0.99198 1.00000
Rh2 Rh 0.84201 0.32477 0.49191 1.00000
Rh3 Rh 0.65768 0.17523 0.00802 1.00000
Rh4 Rh 0.15799 0.67523 0.50809 1.00000
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