YbV8O16
Alexandria ALEXAlex-ID: agm005275953 · 空间群: Pm (#6)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB8C16_24_spg6
VO2 Yb2V2O7 V3O5
2023-05-10 14:26:05.954625
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005275953).
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 agm005275953
data_agm005275953
_cell_length_a 3.72220
_cell_length_b 8.36740
_cell_length_c 9.34868
_cell_angle_alpha 82.15552
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 288.44142
_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
Yb1 Yb 0.00000 0.30328 0.24380 1.00000
V1 V 0.50000 0.94841 0.80949 1.00000
V2 V 0.50000 0.28809 0.94459 1.00000
V3 V 0.50000 0.58513 0.36442 1.00000
V4 V 0.50000 0.23054 0.56338 1.00000
V5 V 0.00000 0.90000 0.46466 1.00000
V6 V 0.00000 0.49785 0.63312 1.00000
V7 V 0.00000 0.61940 0.96511 1.00000
V8 V 0.00000 0.97850 0.06724 1.00000
O1 O 0.50000 0.02224 0.01194 1.00000
O2 O 0.50000 0.19866 0.76325 1.00000
O3 O 0.50000 0.78837 0.38149 1.00000
O4 O 0.50000 0.47497 0.06095 1.00000
O5 O 0.50000 0.73408 0.86834 1.00000
O6 O 0.50000 0.49173 0.56734 1.00000
O7 O 0.50000 0.30596 0.36519 1.00000
O8 O 0.50000 0.99558 0.56899 1.00000
O9 O 0.00000 0.22052 0.02849 1.00000
O10 O 0.00000 0.45849 0.82608 1.00000
O11 O 0.00000 0.96579 0.84614 1.00000
O12 O 0.00000 0.72606 0.59629 1.00000
O13 O 0.00000 0.27989 0.56648 1.00000
O14 O 0.00000 0.54425 0.34365 1.00000
O15 O 0.00000 0.01807 0.28529 1.00000
O16 O 0.00000 0.76653 0.10504 1.00000
