KSr2Zn2Bi3
Alexandria ALEXAlex-ID: agm019854941 · 空间群: Pnma (#62)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D3_26_spg62
KSr2Zn2Bi3
2024-12-31 09:42:22
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm019854941).
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 agm019854941
data_agm019854941
_cell_length_a 4.87357
_cell_length_b 12.93710
_cell_length_c 16.47629
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 1038.82881
_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
K1 K 0.75000 0.40116 0.44189 1.00000
K2 K 0.75000 0.90116 0.05811 1.00000
K3 K 0.25000 0.59884 0.55811 1.00000
K4 K 0.25000 0.09884 0.94189 1.00000
Sr1 Sr 0.75000 0.10056 0.57148 1.00000
Sr2 Sr 0.75000 0.60056 0.92852 1.00000
Sr3 Sr 0.25000 0.89944 0.42852 1.00000
Sr4 Sr 0.25000 0.39944 0.07148 1.00000
Sr5 Sr 0.75000 0.36641 0.71159 1.00000
Sr6 Sr 0.75000 0.86641 0.78841 1.00000
Sr7 Sr 0.25000 0.63359 0.28841 1.00000
Sr8 Sr 0.25000 0.13359 0.21159 1.00000
Zn1 Zn 0.75000 0.30604 0.91459 1.00000
Zn2 Zn 0.75000 0.80604 0.58541 1.00000
Zn3 Zn 0.25000 0.69396 0.08541 1.00000
Zn4 Zn 0.25000 0.19396 0.41459 1.00000
Zn5 Zn 0.75000 0.36094 0.20654 1.00000
Zn6 Zn 0.75000 0.86094 0.29346 1.00000
Zn7 Zn 0.25000 0.63906 0.79346 1.00000
Zn8 Zn 0.25000 0.13906 0.70654 1.00000
Bi1 Bi 0.75000 0.07978 0.36292 1.00000
Bi2 Bi 0.75000 0.57978 0.13708 1.00000
Bi3 Bi 0.25000 0.92022 0.63708 1.00000
Bi4 Bi 0.25000 0.42022 0.86292 1.00000
Bi5 Bi 0.75000 0.13073 0.79641 1.00000
Bi6 Bi 0.75000 0.63073 0.70359 1.00000
Bi7 Bi 0.25000 0.86927 0.20359 1.00000
Bi8 Bi 0.25000 0.36927 0.29641 1.00000
Bi9 Bi 0.75000 0.70988 0.42673 1.00000
Bi10 Bi 0.75000 0.20988 0.07327 1.00000
Bi11 Bi 0.25000 0.29012 0.57327 1.00000
Bi12 Bi 0.25000 0.79012 0.92673 1.00000
