RbZn3Sb2
Alexandria ALEXAlex-ID: agm005808505 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_2164_spg12
Rb(ZnSb)2 Zn
2023-08-25 12:01:29.220341
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005808505).
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 agm005808505
data_agm005808505
_cell_length_a 4.29892
_cell_length_b 8.97483
_cell_length_c 10.06885
_cell_angle_alpha 114.73201
_cell_angle_beta 89.99999
_cell_angle_gamma 103.85697
_cell_volume 340.35651
_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 0.87062 0.74124 0.94496 1.00000
Rb2 Rb 0.12938 0.25876 0.05504 1.00000
Zn1 Zn 0.28452 0.56904 0.59269 1.00000
Zn2 Zn 0.87470 0.74939 0.56606 1.00000
Zn3 Zn 0.58603 0.17207 0.60246 1.00000
Zn4 Zn 0.41397 0.82793 0.39754 1.00000
Zn5 Zn 0.12530 0.25061 0.43394 1.00000
Zn6 Zn 0.71548 0.43096 0.40731 1.00000
Sb1 Sb 0.46410 0.92820 0.71591 1.00000
Sb2 Sb 0.53590 0.07180 0.28409 1.00000
Sb3 Sb 0.81870 0.63740 0.26099 1.00000
Sb4 Sb 0.18130 0.36260 0.73901 1.00000
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