DyV3O9
Alexandria ALEXAlex-ID: agm005998889 · 空间群: C222_1 (#20)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C9_48_spg20
DyV3O9
2023-08-10 07:39:41.264447
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005998889).
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 agm005998889
data_agm005998889
_cell_length_a 7.40214
_cell_length_b 7.40214
_cell_length_c 7.59066
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 106.05396
_cell_volume 399.68531
_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
Dy1 Dy 0.60204 0.60204 0.00000 1.00000
Dy2 Dy 0.39796 0.39796 0.50000 1.00000
V1 V 0.14709 0.78760 0.02979 1.00000
V2 V 0.85291 0.21240 0.52979 1.00000
V3 V 0.78760 0.14709 0.97021 1.00000
V4 V 0.21240 0.85291 0.47021 1.00000
V5 V 0.24662 0.24662 0.00000 1.00000
V6 V 0.75338 0.75338 0.50000 1.00000
O1 O 0.23814 0.01444 0.92587 1.00000
O2 O 0.76186 0.98556 0.42587 1.00000
O3 O 0.01444 0.23814 0.07413 1.00000
O4 O 0.98556 0.76186 0.57413 1.00000
O5 O 0.34121 0.37952 0.82037 1.00000
O6 O 0.65879 0.62048 0.32037 1.00000
O7 O 0.37952 0.34121 0.17963 1.00000
O8 O 0.62048 0.65879 0.67963 1.00000
O9 O 0.33652 0.69461 0.48477 1.00000
O10 O 0.66348 0.30539 0.98477 1.00000
O11 O 0.69461 0.33652 0.51523 1.00000
O12 O 0.30539 0.66348 0.01523 1.00000
O13 O 0.32781 0.07501 0.53095 1.00000
O14 O 0.67219 0.92499 0.03095 1.00000
O15 O 0.07501 0.32781 0.46905 1.00000
O16 O 0.92499 0.67219 0.96905 1.00000
O17 O 0.13496 0.86504 0.25000 1.00000
O18 O 0.86504 0.13496 0.75000 1.00000
