U2WO8
Alexandria ALEXAlex-ID: agm005267595 · 空间群: Pbam (#55)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C8_4050_spg14
UO3 WO2
2024-10-09 13:34:07
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005267595).
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 agm005267595
data_agm005267595
_cell_length_a 4.06131
_cell_length_b 6.80825
_cell_length_c 23.81452
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 658.48242
_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
U1 U 0.00000 0.30778 0.37603 1.00000
U2 U 0.00000 0.69222 0.62397 1.00000
U3 U 0.00000 0.19222 0.87603 1.00000
U4 U 0.00000 0.80778 0.12397 1.00000
U5 U 0.00000 0.33756 0.21461 1.00000
U6 U 0.00000 0.66244 0.78539 1.00000
U7 U 0.00000 0.16244 0.71461 1.00000
U8 U 0.00000 0.83756 0.28539 1.00000
W1 W 0.00000 0.32985 0.04812 1.00000
W2 W 0.00000 0.67015 0.95188 1.00000
W3 W 0.00000 0.17015 0.54812 1.00000
W4 W 0.00000 0.82985 0.45188 1.00000
O1 O 0.00000 0.14354 0.46650 1.00000
O2 O 0.00000 0.85646 0.53350 1.00000
O3 O 0.00000 0.35646 0.96650 1.00000
O4 O 0.00000 0.64354 0.03350 1.00000
O5 O 0.00000 0.43182 0.12294 1.00000
O6 O 0.00000 0.56818 0.87706 1.00000
O7 O 0.00000 0.06818 0.62294 1.00000
O8 O 0.00000 0.93182 0.37706 1.00000
O9 O 0.50000 0.34312 0.21595 1.00000
O10 O 0.50000 0.65688 0.78405 1.00000
O11 O 0.50000 0.15688 0.71595 1.00000
O12 O 0.50000 0.84312 0.28405 1.00000
O13 O 0.00000 0.16288 0.29256 1.00000
O14 O 0.00000 0.83712 0.70744 1.00000
O15 O 0.00000 0.33712 0.79256 1.00000
O16 O 0.00000 0.66288 0.20744 1.00000
O17 O 0.50000 0.30154 0.37698 1.00000
O18 O 0.50000 0.69846 0.62302 1.00000
O19 O 0.50000 0.19846 0.87698 1.00000
O20 O 0.50000 0.80154 0.12302 1.00000
O21 O 0.50000 0.33643 0.04715 1.00000
O22 O 0.50000 0.66357 0.95285 1.00000
O23 O 0.50000 0.16357 0.54715 1.00000
O24 O 0.50000 0.83643 0.45285 1.00000
O25 O 0.00000 0.03770 0.18665 1.00000
O26 O 0.00000 0.96230 0.81335 1.00000
O27 O 0.00000 0.46230 0.68665 1.00000
O28 O 0.00000 0.53770 0.31335 1.00000
O29 O 0.00000 0.06589 0.06273 1.00000
O30 O 0.00000 0.93411 0.93727 1.00000
O31 O 0.00000 0.43411 0.56273 1.00000
O32 O 0.00000 0.56589 0.43727 1.00000
