RbCd3P2
Alexandria ALEXAlex-ID: agm005807482 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_2165_spg12
Rb3P7 RbCd11 Cd
2023-08-24 07:35:09.050459
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005807482).
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 agm005807482
data_agm005807482
_cell_length_a 4.37956
_cell_length_b 10.40972
_cell_length_c 8.83547
_cell_angle_alpha 120.55931
_cell_angle_beta 104.34991
_cell_angle_gamma 89.99993
_cell_volume 332.18253
_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
Rb1 Rb 0.13061 0.04178 0.26126 1.00000
Rb2 Rb 0.86939 0.95822 0.73874 1.00000
Cd1 Cd 0.07861 0.40673 0.15723 1.00000
Cd2 Cd 0.92139 0.59327 0.84277 1.00000
Cd3 Cd 0.71080 0.38800 0.42162 1.00000
Cd4 Cd 0.28920 0.61200 0.57838 1.00000
Cd5 Cd 0.59625 0.70012 0.19249 1.00000
Cd6 Cd 0.40375 0.29988 0.80751 1.00000
P1 P 0.46885 0.76564 0.93769 1.00000
P2 P 0.53115 0.23436 0.06231 1.00000
P3 P 0.17518 0.71206 0.35034 1.00000
P4 P 0.82482 0.28794 0.64966 1.00000
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