Rb2TlInSe4
Alexandria ALEXAlex-ID: agm004769413 · 空间群: I-4 (#82)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_415_spg82
RbTlSe2 RbInSe2
2022-07-20 17:33:00.050084
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004769413).
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 agm004769413
data_agm004769413
_cell_length_a 7.88026
_cell_length_b 7.88026
_cell_length_c 7.30060
_cell_angle_alpha 122.67740
_cell_angle_beta 122.68061
_cell_angle_gamma 89.99306
_cell_volume 292.76356
_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 0.48589 0.98593 0.97186 1.00000
Rb2 Rb 0.23586 0.23587 0.47180 1.00000
Tl1 Tl 0.73584 0.73583 0.47167 1.00000
In1 In 0.98588 0.48589 0.97178 1.00000
Se1 Se 0.69217 0.60824 0.72685 1.00000
Se2 Se 0.86355 0.43701 0.21659 1.00000
Se3 Se 0.35315 0.77959 0.21666 1.00000
Se4 Se 0.03472 0.11870 0.72689 1.00000
获取直接链接