PrDy3V4O12
Alexandria ALEXAlex-ID: agm011677944 · 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
AB3C4D12_7_spg6
DyVO3 PrVO3
2024-04-08 10:15:48
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011677944).
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 agm011677944
data_agm011677944
_cell_length_a 7.69781
_cell_length_b 5.37510
_cell_length_c 5.76408
_cell_angle_alpha 89.92911
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 238.49762
_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
Pr1 Pr 0.00000 0.51730 0.56298 1.00000
Dy1 Dy 0.00000 0.97968 0.06869 1.00000
Dy2 Dy 0.50000 0.48050 0.42778 1.00000
Dy3 Dy 0.50000 0.01917 0.93253 1.00000
V1 V 0.25369 0.99908 0.49992 1.00000
V2 V 0.74744 0.50138 0.99956 1.00000
V3 V 0.74631 0.99908 0.49992 1.00000
V4 V 0.25256 0.50138 0.99956 1.00000
O1 O 0.31190 0.19940 0.19120 1.00000
O2 O 0.68992 0.30337 0.68853 1.00000
O3 O 0.80507 0.80899 0.81516 1.00000
O4 O 0.20059 0.70123 0.30241 1.00000
O5 O 0.19493 0.80899 0.81516 1.00000
O6 O 0.79941 0.70123 0.30241 1.00000
O7 O 0.68810 0.19940 0.19120 1.00000
O8 O 0.31008 0.30337 0.68853 1.00000
O9 O 0.00000 0.38336 0.96849 1.00000
O10 O 0.00000 0.09527 0.45399 1.00000
O11 O 0.50000 0.61759 0.04341 1.00000
O12 O 0.50000 0.88022 0.54856 1.00000
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