LaVF7
Alexandria ALEXAlex-ID: agm024243223 · 空间群: P2_1 (#4)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC7_8_spg4
LaVF7
2024-09-13 16:23:02.818236
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024243223).
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 agm024243223
data_agm024243223
_cell_length_a 5.83359
_cell_length_b 6.12619
_cell_length_c 8.55775
_cell_angle_alpha 76.29513
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 297.12637
_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
La1 La 0.70147 0.84789 0.20099 1.00000
La2 La 0.20147 0.15211 0.79901 1.00000
V1 V 0.70688 0.68233 0.72490 1.00000
V2 V 0.20688 0.31767 0.27510 1.00000
F1 F 0.91809 0.03411 0.98781 1.00000
F2 F 0.41809 0.96589 0.01219 1.00000
F3 F 0.44712 0.53278 0.26451 1.00000
F4 F 0.94712 0.46722 0.73549 1.00000
F5 F 0.98595 0.55493 0.25388 1.00000
F6 F 0.48595 0.44507 0.74612 1.00000
F7 F 0.96788 0.10109 0.29446 1.00000
F8 F 0.46788 0.89891 0.70554 1.00000
F9 F 0.70155 0.71736 0.50405 1.00000
F10 F 0.20155 0.28264 0.49595 1.00000
F11 F 0.71455 0.63948 0.94209 1.00000
F12 F 0.21455 0.36052 0.05791 1.00000
F13 F 0.43284 0.08708 0.30177 1.00000
F14 F 0.93284 0.91292 0.69823 1.00000
获取直接链接