V6O7F5
Alexandria ALEXAlex-ID: agm005233186 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
A5B6C7_20_spg1
V2O3F VOF
2023-05-07 19:11:59.253186
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005233186).
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 agm005233186
data_agm005233186
_cell_length_a 4.71482
_cell_length_b 5.63586
_cell_length_c 7.76410
_cell_angle_alpha 86.17247
_cell_angle_beta 88.36559
_cell_angle_gamma 87.65320
_cell_volume 205.60663
_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 0.54765 0.85408 0.66294 1.00000
V2 V 0.52486 0.50351 0.01003 1.00000
V3 V 0.48911 0.16651 0.33379 1.00000
V4 V 0.99665 0.32788 0.66926 1.00000
V5 V 0.99358 0.65959 0.32165 1.00000
V6 V 0.96057 0.99763 0.00040 1.00000
O1 O 0.80431 0.70027 0.09968 1.00000
O2 O 0.79345 0.03676 0.76467 1.00000
O3 O 0.69816 0.19594 0.10850 1.00000
O4 O 0.69157 0.54263 0.76217 1.00000
O5 O 0.70154 0.86761 0.43745 1.00000
O6 O 0.30102 0.12400 0.56744 1.00000
O7 O 0.30352 0.46263 0.23629 1.00000
F1 F 0.80317 0.36399 0.43551 1.00000
F2 F 0.30186 0.80846 0.89446 1.00000
F3 F 0.19653 0.95992 0.22456 1.00000
F4 F 0.19515 0.29827 0.90340 1.00000
F5 F 0.19731 0.63033 0.56780 1.00000
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