RbTe2As
Alexandria ALEXAlex-ID: agm005648757 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_345_spg11
Rb2Te5 Rb2Te3 As
2023-07-11 19:51:57.081693
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005648757).
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 agm005648757
data_agm005648757
_cell_length_a 5.66054
_cell_length_b 5.67770
_cell_length_c 9.99595
_cell_angle_alpha 85.81279
_cell_angle_beta 95.64656
_cell_angle_gamma 90.79107
_cell_volume 318.83878
_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 0.41177 0.16182 0.17391 1.00000
Rb2 Rb 0.12470 0.59771 0.79846 1.00000
Te1 Te 0.65800 0.07362 0.83216 1.00000
Te2 Te 0.51111 0.68225 0.48949 1.00000
Te3 Te 0.02437 0.19007 0.48245 1.00000
Te4 Te 0.87929 0.69524 0.14009 1.00000
As1 As 0.95482 0.66608 0.40122 1.00000
As2 As 0.58172 0.13870 0.57142 1.00000
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