Rb2CeSe3
Alexandria ALEXAlex-ID: agm034256709 · 空间群: Fddd (#70)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_36_spg70
Rb2CeSe3
2024-11-08 22:53:21.790916
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034256709).
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 agm034256709
data_agm034256709
_cell_length_a 14.88963
_cell_length_b 14.20746
_cell_length_c 8.06648
_cell_angle_alpha 78.62187
_cell_angle_beta 69.29804
_cell_angle_gamma 32.08009
_cell_volume 829.61911
_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 0.99429 0.99429 0.50571 1.00000
Rb2 Rb 0.42362 0.42362 0.57638 1.00000
Rb3 Rb 0.82638 0.82638 0.67362 1.00000
Rb4 Rb 0.25571 0.25571 0.74429 1.00000
Rb5 Rb 0.74429 0.74429 0.25571 1.00000
Rb6 Rb 0.67362 0.67362 0.82638 1.00000
Rb7 Rb 0.57638 0.57638 0.42362 1.00000
Rb8 Rb 0.50571 0.50571 0.99429 1.00000
Ce1 Ce 0.91548 0.91548 0.08452 1.00000
Ce2 Ce 0.33452 0.33452 0.16548 1.00000
Ce3 Ce 0.16548 0.16548 0.33452 1.00000
Ce4 Ce 0.08452 0.08452 0.91548 1.00000
Se1 Se 0.15197 0.65928 0.29561 1.00000
Se2 Se 0.65928 0.15197 0.89314 1.00000
Se3 Se 0.09803 0.59072 0.95439 1.00000
Se4 Se 0.59072 0.09803 0.35686 1.00000
Se5 Se 0.05855 0.44145 0.44145 1.00000
Se6 Se 0.44145 0.05855 0.05855 1.00000
Se7 Se 0.35686 0.95439 0.59072 1.00000
Se8 Se 0.95439 0.35686 0.09803 1.00000
Se9 Se 0.89314 0.29561 0.65928 1.00000
Se10 Se 0.29561 0.89314 0.15197 1.00000
Se11 Se 0.19145 0.80855 0.80855 1.00000
Se12 Se 0.80855 0.19145 0.19145 1.00000
