VF4
Alexandria ALEXAlex-ID: agm005244779 · 空间群: P2_1/c (#14)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4_1578_spg14
VF4
2023-05-08 01:11:54.257612
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005244779).
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 agm005244779
data_agm005244779
_cell_length_a 5.08737
_cell_length_b 7.53446
_cell_length_c 7.56922
_cell_angle_alpha 76.28629
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 281.86169
_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 0.74766 0.80969 0.80207 1.00000
V2 V 0.75234 0.30969 0.80207 1.00000
V3 V 0.24766 0.69031 0.19793 1.00000
V4 V 0.25234 0.19031 0.19793 1.00000
F1 F 0.05254 0.71699 0.96537 1.00000
F2 F 0.44746 0.21699 0.96537 1.00000
F3 F 0.64470 0.55498 0.81674 1.00000
F4 F 0.45118 0.89639 0.69634 1.00000
F5 F 0.85530 0.05498 0.81674 1.00000
F6 F 0.04882 0.39639 0.69634 1.00000
F7 F 0.95448 0.80824 0.61784 1.00000
F8 F 0.54552 0.30824 0.61784 1.00000
F9 F 0.45448 0.69176 0.38216 1.00000
F10 F 0.04552 0.19176 0.38216 1.00000
F11 F 0.95118 0.60361 0.30366 1.00000
F12 F 0.14470 0.94502 0.18326 1.00000
F13 F 0.54882 0.10361 0.30366 1.00000
F14 F 0.35530 0.44502 0.18326 1.00000
F15 F 0.55254 0.78301 0.03463 1.00000
F16 F 0.94746 0.28301 0.03463 1.00000
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