Re(WO4)2
Alexandria ALEXAlex-ID: agm005266747 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C8_3_spg164
WO2 WO3 ReO3
2024-10-09 13:08:54
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005266747).
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 agm005266747
data_agm005266747
_cell_length_a 5.15845
_cell_length_b 6.31223
_cell_length_c 5.45143
_cell_angle_alpha 91.85905
_cell_angle_beta 88.91825
_cell_angle_gamma 122.97126
_cell_volume 148.83875
_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
Re1 Re 0.00000 0.50000 0.50000 1.00000
W1 W 0.81168 0.85973 0.76378 1.00000
W2 W 0.18832 0.14027 0.23622 1.00000
O1 O 0.73876 0.93377 0.07831 1.00000
O2 O 0.82437 0.56878 0.79694 1.00000
O3 O 0.58726 0.30844 0.35830 1.00000
O4 O 0.04000 0.83090 0.42969 1.00000
O5 O 0.17563 0.43122 0.20306 1.00000
O6 O 0.26124 0.06623 0.92169 1.00000
O7 O 0.41274 0.69156 0.64170 1.00000
O8 O 0.96000 0.16910 0.57031 1.00000
获取直接链接