K5AsO
Alexandria ALEXAlex-ID: agm005789481 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC5_429_spg15
K9O2 K3AsO4 K3As
2023-07-17 15:05:18.148410
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005789481).
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 agm005789481
data_agm005789481
_cell_length_a 7.08940
_cell_length_b 7.08940
_cell_length_c 11.33977
_cell_angle_alpha 94.47291
_cell_angle_beta 107.89619
_cell_angle_gamma 112.56474
_cell_volume 488.23238
_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 0.76210 0.03334 0.11987 1.00000
K2 K 0.13305 0.79808 0.52821 1.00000
K3 K 0.58652 0.35776 0.61987 1.00000
K4 K 0.28697 0.03697 0.25000 1.00000
K5 K 0.76987 0.60484 0.97179 1.00000
K6 K 0.23013 0.39516 0.02821 1.00000
K7 K 0.71303 0.96303 0.75000 1.00000
K8 K 0.41348 0.64224 0.38013 1.00000
K9 K 0.86695 0.20192 0.47179 1.00000
K10 K 0.23790 0.96666 0.88013 1.00000
As1 As 0.74648 0.49648 0.25000 1.00000
As2 As 0.25352 0.50352 0.75000 1.00000
O1 O 0.00000 0.00000 0.00000 1.00000
O2 O 0.50000 0.00000 0.50000 1.00000
获取直接链接