Rb4ErCl8
Alexandria ALEXAlex-ID: agm097405697 · 空间群: Pm (#6)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C8_1151_spg6
RbCl3 Rb3ErCl6 RbCl
2025-06-12 23:54:08
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097405697).
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 agm097405697
data_agm097405697
_cell_length_a 5.33502
_cell_length_b 11.52062
_cell_length_c 9.81539
_cell_angle_alpha 121.74451
_cell_angle_beta 89.62479
_cell_angle_gamma 89.85513
_cell_volume 513.00843
_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 0.11450 0.19128 0.96377 1.00000
Rb2 Rb 0.11491 0.60621 0.01946 1.00000
Rb3 Rb 0.12123 0.47445 0.51612 1.00000
Rb4 Rb 0.61911 0.10830 0.52449 1.00000
Er1 Er 0.61362 0.89388 0.97012 1.00000
Cl1 Cl 0.61711 0.98278 0.77369 1.00000
Cl2 Cl 0.61699 0.63189 0.75251 1.00000
Cl3 Cl 0.86264 0.48560 0.22223 1.00000
Cl4 Cl 0.60711 0.14634 0.20644 1.00000
Cl5 Cl 0.11387 0.88548 0.95941 1.00000
Cl6 Cl 0.11650 0.28831 0.69156 1.00000
Cl7 Cl 0.36974 0.48523 0.22052 1.00000
Cl8 Cl 0.61269 0.82024 0.17968 1.00000
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