Rb2Te3As
Alexandria ALEXAlex-ID: agm005863751 · 空间群: Cmce (#64)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_21_spg64
Rb2Te3 As
2023-08-07 06:18:48.955036
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005863751).
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 agm005863751
data_agm005863751
_cell_length_a 8.16102
_cell_length_b 8.44495
_cell_length_c 18.03770
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 118.89389
_cell_volume 1088.39541
_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 0.56711 0.13422 0.66511 1.00000
Rb2 Rb 0.64903 0.29806 0.06846 1.00000
Rb3 Rb 0.06711 0.13422 0.83489 1.00000
Rb4 Rb 0.85097 0.70194 0.56846 1.00000
Rb5 Rb 0.93289 0.86578 0.16511 1.00000
Rb6 Rb 0.43289 0.86578 0.33489 1.00000
Rb7 Rb 0.14903 0.29806 0.43154 1.00000
Rb8 Rb 0.35097 0.70194 0.93154 1.00000
Te1 Te 0.56521 0.63042 0.75000 1.00000
Te2 Te 0.93479 0.36958 0.25000 1.00000
Te3 Te 0.59334 0.18669 0.86712 1.00000
Te4 Te 0.86538 0.73077 0.95901 1.00000
Te5 Te 0.13462 0.26923 0.04099 1.00000
Te6 Te 0.90666 0.81331 0.36712 1.00000
Te7 Te 0.63462 0.26923 0.45901 1.00000
Te8 Te 0.36538 0.73077 0.54099 1.00000
Te9 Te 0.09334 0.18669 0.63288 1.00000
Te10 Te 0.40666 0.81331 0.13288 1.00000
Te11 Te 0.06521 0.63042 0.75000 1.00000
Te12 Te 0.43479 0.36958 0.25000 1.00000
As1 As 0.76430 0.52861 0.84119 1.00000
As2 As 0.73570 0.47139 0.34119 1.00000
As3 As 0.26430 0.52861 0.65881 1.00000
As4 As 0.23570 0.47139 0.15881 1.00000
