YVAgO4
Alexandria ALEXAlex-ID: agm005049331 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD4_629_spg11
YVO4 Ag
2022-08-01 04:10:52.128412
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005049331).
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 agm005049331
data_agm005049331
_cell_length_a 5.99646
_cell_length_b 6.16517
_cell_length_c 6.85046
_cell_angle_alpha 90.00000
_cell_angle_beta 109.12824
_cell_angle_gamma 90.00000
_cell_volume 239.27319
_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 0.81693 0.75000 0.46211 1.00000
Y2 Y 0.18307 0.25000 0.53789 1.00000
V1 V 0.26032 0.75000 0.31477 1.00000
V2 V 0.73968 0.25000 0.68523 1.00000
Ag1 Ag 0.47389 0.75000 0.87343 1.00000
Ag2 Ag 0.52611 0.25000 0.12657 1.00000
O1 O 0.94421 0.46670 0.67638 1.00000
O2 O 0.05579 0.96670 0.32362 1.00000
O3 O 0.05579 0.53330 0.32362 1.00000
O4 O 0.94421 0.03330 0.67638 1.00000
O5 O 0.47953 0.75000 0.18184 1.00000
O6 O 0.52047 0.25000 0.81816 1.00000
O7 O 0.49044 0.75000 0.57079 1.00000
O8 O 0.50956 0.25000 0.42921 1.00000
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