V3P6WO24
Alexandria ALEXAlex-ID: agm003242546 · 空间群: R3 (#146)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C6D24_0_spg146
VP2O7 WO3
2021-12-26 21:57:40.210191
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003242546).
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 agm003242546
data_agm003242546
_cell_length_a 8.83487
_cell_length_b 8.83487
_cell_length_c 8.83487
_cell_angle_alpha 58.18456
_cell_angle_beta 58.18456
_cell_angle_gamma 58.18457
_cell_volume 467.33808
_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
V1 V 0.14257 0.14257 0.14257 1.00000
V2 V 0.35828 0.35828 0.35828 1.00000
V3 V 0.64401 0.64401 0.64401 1.00000
P1 P 0.03469 0.45932 0.75024 1.00000
P2 P 0.45932 0.75024 0.03469 1.00000
P3 P 0.75024 0.03469 0.45932 1.00000
P4 P 0.25587 0.96970 0.52768 1.00000
P5 P 0.52768 0.25587 0.96970 1.00000
P6 P 0.96970 0.52768 0.25587 1.00000
W1 W 0.85866 0.85866 0.85866 1.00000
O1 O 0.14970 0.51051 0.25831 1.00000
O2 O 0.25831 0.14970 0.51051 1.00000
O3 O 0.07489 0.27991 0.91781 1.00000
O4 O 0.51051 0.25831 0.14970 1.00000
O5 O 0.20424 0.45597 0.56557 1.00000
O6 O 0.99842 0.63396 0.78869 1.00000
O7 O 0.27991 0.91781 0.07489 1.00000
O8 O 0.45597 0.56557 0.20424 1.00000
O9 O 0.56557 0.20424 0.45597 1.00000
O10 O 0.21338 0.99438 0.36786 1.00000
O11 O 0.08308 0.92540 0.71755 1.00000
O12 O 0.36786 0.21338 0.99438 1.00000
O13 O 0.63396 0.78869 0.99842 1.00000
O14 O 0.91781 0.07489 0.27991 1.00000
O15 O 0.78869 0.99842 0.63396 1.00000
O16 O 0.43242 0.79494 0.55165 1.00000
O17 O 0.55165 0.43242 0.79494 1.00000
O18 O 0.71755 0.08308 0.92540 1.00000
O19 O 0.99438 0.36786 0.21338 1.00000
O20 O 0.79494 0.55165 0.43242 1.00000
O21 O 0.48921 0.73591 0.85522 1.00000
O22 O 0.92540 0.71755 0.08308 1.00000
O23 O 0.73591 0.85522 0.48921 1.00000
O24 O 0.85522 0.48921 0.73591 1.00000
