Rb2Te10W9
Alexandria ALEXAlex-ID: agm007991897 · 空间群: R-3 (#148)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B9C10_3_spg148
Rb2Te10W9
2024-09-13 12:59:31.431838
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007991897).
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 agm007991897
data_agm007991897
_cell_length_a 14.44857
_cell_length_b 14.44857
_cell_length_c 14.44857
_cell_angle_alpha 41.99959
_cell_angle_beta 41.99959
_cell_angle_gamma 41.99959
_cell_volume 1221.60691
_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 0.69983 0.69983 0.69983 1.00000
Rb2 Rb 0.30017 0.30017 0.30017 1.00000
Rb3 Rb 0.57526 0.57526 0.57526 1.00000
Rb4 Rb 0.42474 0.42474 0.42474 1.00000
Te1 Te 0.79616 0.79616 0.79616 1.00000
Te2 Te 0.20384 0.20384 0.20384 1.00000
Te3 Te 0.19299 0.81920 0.55871 1.00000
Te4 Te 0.55871 0.19299 0.81920 1.00000
Te5 Te 0.81920 0.55871 0.19299 1.00000
Te6 Te 0.80701 0.18080 0.44129 1.00000
Te7 Te 0.44129 0.80701 0.18080 1.00000
Te8 Te 0.18080 0.44129 0.80701 1.00000
Te9 Te 0.41884 0.05819 0.78717 1.00000
Te10 Te 0.78717 0.41884 0.05819 1.00000
Te11 Te 0.05819 0.78717 0.41884 1.00000
Te12 Te 0.58116 0.94181 0.21283 1.00000
Te13 Te 0.21283 0.58116 0.94181 1.00000
Te14 Te 0.94181 0.21283 0.58116 1.00000
Te15 Te 0.06394 0.33116 0.69027 1.00000
Te16 Te 0.69027 0.06394 0.33116 1.00000
Te17 Te 0.33116 0.69027 0.06394 1.00000
Te18 Te 0.93606 0.66884 0.30973 1.00000
Te19 Te 0.30973 0.93606 0.66884 1.00000
Te20 Te 0.66884 0.30973 0.93606 1.00000
W1 W 0.69865 0.87216 0.99200 1.00000
W2 W 0.99200 0.69865 0.87216 1.00000
W3 W 0.87216 0.99200 0.69865 1.00000
W4 W 0.30135 0.12784 0.00800 1.00000
W5 W 0.00800 0.30135 0.12784 1.00000
W6 W 0.12784 0.00800 0.30135 1.00000
W7 W 0.06943 0.89953 0.76951 1.00000
W8 W 0.76951 0.06943 0.89953 1.00000
W9 W 0.89953 0.76951 0.06943 1.00000
W10 W 0.93057 0.10047 0.23049 1.00000
W11 W 0.23049 0.93057 0.10047 1.00000
W12 W 0.10047 0.23049 0.93057 1.00000
W13 W 0.18552 0.01400 0.88890 1.00000
W14 W 0.88890 0.18552 0.01400 1.00000
W15 W 0.01400 0.88890 0.18552 1.00000
W16 W 0.81448 0.98600 0.11110 1.00000
W17 W 0.11110 0.81448 0.98600 1.00000
W18 W 0.98600 0.11110 0.81448 1.00000
