RbCu2SbCl8
Alexandria ALEXAlex-ID: agm004882701 · 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
ABC2D8_463_spg12
CuCl2 Rb3Sb2Cl9 SbCl3
2022-12-20 00:21:44.641013
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004882701).
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}
}
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# CIF generated by HEAS from Alexandria entry agm004882701
data_agm004882701
_cell_length_a 7.39498
_cell_length_b 7.36954
_cell_length_c 8.45242
_cell_angle_alpha 82.70718
_cell_angle_beta 82.71062
_cell_angle_gamma 57.12125
_cell_volume 382.79276
_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 0.00000 0.00000 0.50000 1.00000
Cu1 Cu 0.52608 0.52625 0.67090 1.00000
Cu2 Cu 0.47392 0.47375 0.32910 1.00000
Sb1 Sb 0.00000 0.00000 0.00000 1.00000
Cl1 Cl 0.16857 0.65815 0.18871 1.00000
Cl2 Cl 0.84788 0.84779 0.85642 1.00000
Cl3 Cl 0.66214 0.16257 0.19243 1.00000
Cl4 Cl 0.83143 0.34185 0.81129 1.00000
Cl5 Cl 0.15212 0.15221 0.14358 1.00000
Cl6 Cl 0.33786 0.83743 0.80757 1.00000
Cl7 Cl 0.63677 0.62084 0.42329 1.00000
Cl8 Cl 0.36323 0.37916 0.57671 1.00000
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