YV2IO9
Alexandria ALEXAlex-ID: agm021664573 · 空间群: Pbcm (#57)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D9_15_spg57
YV3O9 Y(IO3)3
2025-03-08 06:10:28
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm021664573).
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 agm021664573
data_agm021664573
_cell_length_a 6.97161
_cell_length_b 7.25054
_cell_length_c 14.39782
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 727.78024
_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 0.85098 0.25000 0.45452 1.00000
Y2 Y 0.14902 0.75000 0.54548 1.00000
Y3 Y 0.85098 0.75000 0.04548 1.00000
Y4 Y 0.14902 0.25000 0.95452 1.00000
V1 V 0.54490 0.50000 0.25000 1.00000
V2 V 0.45510 0.00000 0.75000 1.00000
V3 V 0.45510 0.50000 0.75000 1.00000
V4 V 0.54490 0.00000 0.25000 1.00000
V5 V 0.17936 0.25000 0.22935 1.00000
V6 V 0.82064 0.75000 0.77065 1.00000
V7 V 0.17936 0.75000 0.27065 1.00000
V8 V 0.82064 0.25000 0.72935 1.00000
I1 I 0.29761 0.25000 0.55294 1.00000
I2 I 0.70239 0.75000 0.44706 1.00000
I3 I 0.29761 0.75000 0.94706 1.00000
I4 I 0.70239 0.25000 0.05294 1.00000
O1 O 0.17064 0.43171 0.48638 1.00000
O2 O 0.82936 0.93171 0.51362 1.00000
O3 O 0.17064 0.56829 0.01362 1.00000
O4 O 0.82936 0.06829 0.98638 1.00000
O5 O 0.82936 0.56829 0.51362 1.00000
O6 O 0.17064 0.06829 0.48638 1.00000
O7 O 0.82936 0.43171 0.98638 1.00000
O8 O 0.17064 0.93171 0.01362 1.00000
O9 O 0.53189 0.25000 0.49786 1.00000
O10 O 0.46811 0.75000 0.50214 1.00000
O11 O 0.53189 0.75000 0.00214 1.00000
O12 O 0.46811 0.25000 0.99786 1.00000
O13 O 0.68160 0.45382 0.34421 1.00000
O14 O 0.31840 0.95382 0.65579 1.00000
O15 O 0.68160 0.54618 0.15579 1.00000
O16 O 0.31840 0.04618 0.84421 1.00000
O17 O 0.31840 0.54618 0.65579 1.00000
O18 O 0.68160 0.04618 0.34421 1.00000
O19 O 0.31840 0.45382 0.84421 1.00000
O20 O 0.68160 0.95382 0.15579 1.00000
O21 O 0.47466 0.25000 0.21935 1.00000
O22 O 0.52534 0.75000 0.78065 1.00000
O23 O 0.47466 0.75000 0.28065 1.00000
O24 O 0.52534 0.25000 0.71935 1.00000
O25 O 0.26312 0.50000 0.25000 1.00000
O26 O 0.73688 0.00000 0.75000 1.00000
O27 O 0.73688 0.50000 0.75000 1.00000
O28 O 0.26312 0.00000 0.25000 1.00000
O29 O 0.00914 0.25000 0.31110 1.00000
O30 O 0.99086 0.75000 0.68890 1.00000
O31 O 0.00914 0.75000 0.18890 1.00000
O32 O 0.99086 0.25000 0.81110 1.00000
O33 O 0.92247 0.25000 0.62303 1.00000
O34 O 0.07753 0.75000 0.37697 1.00000
O35 O 0.92247 0.75000 0.87697 1.00000
O36 O 0.07753 0.25000 0.12303 1.00000
