V4OF11
Alexandria ALEXAlex-ID: agm005227129 · 空间群: C2 (#5)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C11_39_spg1
V4OF11
2024-10-09 10:15:02
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005227129).
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 agm005227129
data_agm005227129
_cell_length_a 5.45930
_cell_length_b 5.45930
_cell_length_c 17.66456
_cell_angle_alpha 78.93820
_cell_angle_beta 78.93820
_cell_angle_gamma 57.88407
_cell_volume 435.05934
_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 0.75352 0.62847 0.43617 1.00000
V2 V 0.25035 0.12790 0.93705 1.00000
V3 V 0.37153 0.24648 0.56383 1.00000
V4 V 0.87210 0.74965 0.06295 1.00000
V5 V 0.02418 0.88191 0.68235 1.00000
V6 V 0.49603 0.37014 0.18903 1.00000
V7 V 0.11809 0.97582 0.31765 1.00000
V8 V 0.62986 0.50397 0.81097 1.00000
O1 O 0.01866 0.74724 0.37224 1.00000
O2 O 0.25276 0.98134 0.62776 1.00000
F1 F 0.97498 0.24074 0.39838 1.00000
F2 F 0.53998 0.21797 0.87617 1.00000
F3 F 0.46864 0.53136 0.50000 1.00000
F4 F 0.75926 0.02502 0.60162 1.00000
F5 F 0.46924 0.73984 0.89922 1.00000
F6 F 0.26016 0.53076 0.10078 1.00000
F7 F 0.51236 0.78284 0.34864 1.00000
F8 F 0.52679 0.01545 0.47522 1.00000
F9 F 0.03313 0.51745 0.97387 1.00000
F10 F 0.23585 0.71807 0.77479 1.00000
F11 F 0.96181 0.03819 0.00000 1.00000
F12 F 0.21716 0.48764 0.65136 1.00000
F13 F 0.01987 0.28406 0.84795 1.00000
F14 F 0.71594 0.98013 0.15205 1.00000
F15 F 0.73967 0.22790 0.27493 1.00000
F16 F 0.77210 0.26033 0.72507 1.00000
F17 F 0.98455 0.47321 0.52478 1.00000
F18 F 0.48255 0.96687 0.02613 1.00000
F19 F 0.78203 0.46002 0.12383 1.00000
F20 F 0.21966 0.26568 0.25261 1.00000
F21 F 0.73432 0.78034 0.74739 1.00000
F22 F 0.28193 0.76415 0.22521 1.00000
