V3CdO7
Alexandria ALEXAlex-ID: agm003249206 · 空间群: Pnma (#62)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C7_28_spg62
V2Cd2O7 V3O5 VO2
2021-12-24 04:05:48.884032
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003249206).
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 agm003249206
data_agm003249206
_cell_length_a 5.38013
_cell_length_b 10.45555
_cell_length_c 10.68705
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 601.17057
_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 0.79474 0.97555 0.81362 1.00000
V2 V 0.29474 0.02445 0.68638 1.00000
V3 V 0.70526 0.52445 0.31362 1.00000
V4 V 0.20526 0.47555 0.18638 1.00000
V5 V 0.20526 0.02445 0.18638 1.00000
V6 V 0.70526 0.97555 0.31362 1.00000
V7 V 0.29474 0.47555 0.68638 1.00000
V8 V 0.79474 0.52445 0.81362 1.00000
V9 V 0.30298 0.75000 0.78390 1.00000
V10 V 0.80298 0.25000 0.71610 1.00000
V11 V 0.19702 0.75000 0.28390 1.00000
V12 V 0.69702 0.25000 0.21610 1.00000
Cd1 Cd 0.82149 0.75000 0.57769 1.00000
Cd2 Cd 0.32149 0.25000 0.92231 1.00000
Cd3 Cd 0.67851 0.75000 0.07769 1.00000
Cd4 Cd 0.17851 0.25000 0.42231 1.00000
O1 O 0.53534 0.88182 0.71871 1.00000
O2 O 0.03534 0.11818 0.78129 1.00000
O3 O 0.96466 0.61818 0.21871 1.00000
O4 O 0.46466 0.38182 0.28129 1.00000
O5 O 0.46466 0.11818 0.28129 1.00000
O6 O 0.96466 0.88182 0.21871 1.00000
O7 O 0.03534 0.38182 0.78129 1.00000
O8 O 0.53534 0.61818 0.71871 1.00000
O9 O 0.05946 0.88097 0.72146 1.00000
O10 O 0.55946 0.11903 0.77854 1.00000
O11 O 0.44054 0.61903 0.22146 1.00000
O12 O 0.94054 0.38097 0.27854 1.00000
O13 O 0.94054 0.11903 0.27854 1.00000
O14 O 0.44054 0.88097 0.22146 1.00000
O15 O 0.55946 0.38097 0.77854 1.00000
O16 O 0.05946 0.61903 0.72146 1.00000
O17 O 0.77755 0.92065 0.95943 1.00000
O18 O 0.27755 0.07935 0.54057 1.00000
O19 O 0.72245 0.57935 0.45943 1.00000
O20 O 0.22245 0.42065 0.04057 1.00000
O21 O 0.22245 0.07935 0.04057 1.00000
O22 O 0.72245 0.92065 0.45943 1.00000
O23 O 0.27755 0.42065 0.54057 1.00000
O24 O 0.77755 0.57935 0.95943 1.00000
O25 O 0.31913 0.75000 0.93888 1.00000
O26 O 0.81913 0.25000 0.56112 1.00000
O27 O 0.18087 0.75000 0.43888 1.00000
O28 O 0.68087 0.25000 0.06112 1.00000
