YV3F12
Alexandria ALEXAlex-ID: agm077196183 · 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
AB3C12_6_spg1
YVF6 VF3
2025-01-29 18:59:43
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm077196183).
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 agm077196183
data_agm077196183
_cell_length_a 5.48440
_cell_length_b 5.63576
_cell_length_c 7.92065
_cell_angle_alpha 92.55494
_cell_angle_beta 90.19992
_cell_angle_gamma 89.98522
_cell_volume 244.57272
_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
Y1 Y 0.00000 0.00000 0.00000 1.00000
V1 V 0.50000 0.50000 0.00000 1.00000
V2 V 0.00000 0.00000 0.50000 1.00000
V3 V 0.50000 0.50000 0.50000 1.00000
F1 F 0.74271 0.75683 0.54193 1.00000
F2 F 0.80546 0.66528 0.95604 1.00000
F3 F 0.19454 0.33472 0.04396 1.00000
F4 F 0.25729 0.24317 0.45807 1.00000
F5 F 0.09360 0.01419 0.73587 1.00000
F6 F 0.24403 0.74106 0.46008 1.00000
F7 F 0.75597 0.25894 0.53992 1.00000
F8 F 0.90640 0.98581 0.26413 1.00000
F9 F 0.42422 0.51356 0.75021 1.00000
F10 F 0.33690 0.80494 0.04470 1.00000
F11 F 0.66310 0.19506 0.95530 1.00000
F12 F 0.57578 0.48644 0.24979 1.00000
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