RbTiBr5
Alexandria ALEXAlex-ID: agm005752476 · 空间群: Imm2 (#44)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC5_335_spg44
Rb2TiBr6 TiBr4
2023-07-15 08:03:48.261471
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005752476).
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
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# CIF generated by HEAS from Alexandria entry agm005752476
data_agm005752476
_cell_length_a 8.63227
_cell_length_b 7.73057
_cell_length_c 7.73057
_cell_angle_alpha 50.51934
_cell_angle_beta 56.06030
_cell_angle_gamma 56.06027
_cell_volume 313.24057
_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 1.00000 0.93554 0.06446 1.00000
Ti1 Ti 0.50000 0.43283 0.56717 1.00000
Br1 Br 0.69645 0.06771 0.53938 1.00000
Br2 Br 0.50000 0.79245 0.20755 1.00000
Br3 Br 0.30355 0.46062 0.93229 1.00000
Br4 Br 0.79056 0.42078 0.57922 1.00000
Br5 Br 0.20944 0.42078 0.57922 1.00000
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