YAsO3
Alexandria ALEXAlex-ID: agm002170802 · 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
ABC3_189_spg148
Y2As4O9 Y2O3
2018-06-08 02:53:43
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002170802).
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 agm002170802
data_agm002170802
_cell_length_a 6.06332
_cell_length_b 6.06305
_cell_length_c 7.19251
_cell_angle_alpha 65.06103
_cell_angle_beta 65.07070
_cell_angle_gamma 59.97933
_cell_volume 199.98974
_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
Y1 Y 0.13708 0.13704 0.58877 1.00000
Y2 Y 0.86292 0.86296 0.41123 1.00000
As1 As 0.29307 0.29316 0.12039 1.00000
As2 As 0.70693 0.70684 0.87961 1.00000
O1 O 0.47614 0.87046 0.71900 1.00000
O2 O 0.12955 0.06542 0.28115 1.00000
O3 O 0.06533 0.52392 0.28106 1.00000
O4 O 0.93467 0.47608 0.71894 1.00000
O5 O 0.87045 0.93458 0.71885 1.00000
O6 O 0.52386 0.12954 0.28100 1.00000
获取直接链接