RbGaICl
Alexandria ALEXAlex-ID: agm005200524 · 空间群: R3m (#160)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD_113_spg8
RbGaI3 RbGaCl3 RbI Ga
2022-07-10 10:41:32.485478
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005200524).
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 agm005200524
data_agm005200524
_cell_length_a 4.64389
_cell_length_b 4.64423
_cell_length_c 8.63108
_cell_angle_alpha 90.02167
_cell_angle_beta 105.58349
_cell_angle_gamma 120.01688
_cell_volume 153.21712
_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 0.44729 0.12154 0.58409 1.00000
Ga1 Ga 0.14433 0.97059 0.13011 1.00000
I1 I 0.32524 0.56053 0.90105 1.00000
Cl1 Cl 0.96104 0.37814 0.35441 1.00000
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