VF4
Alexandria ALEXAlex-ID: agm071009213 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4_2351_spg2
VF4
2025-01-07 09:00:59
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm071009213).
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 agm071009213
data_agm071009213
_cell_length_a 7.38636
_cell_length_b 7.47993
_cell_length_c 7.53521
_cell_angle_alpha 100.23143
_cell_angle_beta 121.69168
_cell_angle_gamma 120.20744
_cell_volume 244.67827
_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 0.50000 0.00000 0.50000 1.00000
V2 V 0.50000 0.50000 0.50000 1.00000
V3 V 0.00000 0.00000 0.50000 1.00000
F1 F 0.71947 0.71068 0.83080 1.00000
F2 F 0.84769 0.74460 0.56274 1.00000
F3 F 0.86455 0.13044 0.59001 1.00000
F4 F 0.15231 0.25540 0.43726 1.00000
F5 F 0.69484 0.11855 0.82606 1.00000
F6 F 0.63683 0.33307 0.58501 1.00000
F7 F 0.13545 0.86956 0.40999 1.00000
F8 F 0.30516 0.88145 0.17394 1.00000
F9 F 0.35680 0.22491 0.82933 1.00000
F10 F 0.64320 0.77509 0.17067 1.00000
F11 F 0.36317 0.66693 0.41499 1.00000
F12 F 0.28053 0.28932 0.16920 1.00000
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