P2WO8
Alexandria ALEXAlex-ID: agm003249804 · 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
AB2C8_91_spg62
P2WO8
2021-12-24 06:23:40.381687
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003249804).
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 agm003249804
data_agm003249804
_cell_length_a 5.24836
_cell_length_b 6.71257
_cell_length_c 17.42960
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 614.04462
_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
P1 P 0.75000 0.20420 0.82957 1.00000
P2 P 0.75000 0.91058 0.41733 1.00000
P3 P 0.75000 0.29580 0.32957 1.00000
P4 P 0.75000 0.58942 0.91733 1.00000
P5 P 0.25000 0.79580 0.17043 1.00000
P6 P 0.25000 0.41058 0.08267 1.00000
P7 P 0.25000 0.08942 0.58267 1.00000
P8 P 0.25000 0.70420 0.67043 1.00000
W1 W 0.25000 0.62803 0.36762 1.00000
W2 W 0.75000 0.37197 0.63238 1.00000
W3 W 0.75000 0.12803 0.13238 1.00000
W4 W 0.25000 0.87197 0.86762 1.00000
O1 O 0.75000 0.31584 0.75486 1.00000
O2 O 0.25000 0.36953 0.00023 1.00000
O3 O 0.51544 0.83183 0.36900 1.00000
O4 O 0.25000 0.13047 0.50023 1.00000
O5 O 0.01177 0.57381 0.66052 1.00000
O6 O 0.75000 0.35436 0.89939 1.00000
O7 O 0.98823 0.07381 0.83948 1.00000
O8 O 0.25000 0.92086 0.96438 1.00000
O9 O 0.25000 0.81584 0.74514 1.00000
O10 O 0.48456 0.33183 0.13100 1.00000
O11 O 0.25000 0.57914 0.46438 1.00000
O12 O 0.25000 0.68416 0.24514 1.00000
O13 O 0.01544 0.16817 0.63100 1.00000
O14 O 0.75000 0.14564 0.39939 1.00000
O15 O 0.75000 0.42086 0.53562 1.00000
O16 O 0.48823 0.57381 0.66052 1.00000
O17 O 0.98456 0.66817 0.86900 1.00000
O18 O 0.98456 0.83183 0.36900 1.00000
O19 O 0.25000 0.64564 0.10061 1.00000
O20 O 0.48456 0.16817 0.63100 1.00000
O21 O 0.51177 0.07381 0.83948 1.00000
O22 O 0.51177 0.42619 0.33948 1.00000
O23 O 0.25000 0.85436 0.60061 1.00000
O24 O 0.75000 0.63047 0.99977 1.00000
O25 O 0.75000 0.07914 0.03562 1.00000
O26 O 0.98823 0.42619 0.33948 1.00000
O27 O 0.48823 0.92619 0.16052 1.00000
O28 O 0.75000 0.18416 0.25486 1.00000
O29 O 0.75000 0.86953 0.49977 1.00000
O30 O 0.51544 0.66817 0.86900 1.00000
O31 O 0.01544 0.33183 0.13100 1.00000
O32 O 0.01177 0.92619 0.16052 1.00000
