DyCrO2
Alexandria ALEXAlex-ID: agm005243710 · 空间群: I4_1/amd (#141)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_6870_spg141
DyCrO3 Dy2O3 Cr
2023-05-07 08:27:46.153671
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005243710).
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 agm005243710
data_agm005243710
_cell_length_a 7.29505
_cell_length_b 7.29505
_cell_length_c 7.29505
_cell_angle_alpha 130.38961
_cell_angle_beta 130.38961
_cell_angle_gamma 72.78467
_cell_volume 220.01922
_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 0.37500 0.62500 0.25000 1.00000
Dy2 Dy 0.37500 0.12500 0.75000 1.00000
Dy3 Dy 0.37500 0.62500 0.75000 1.00000
Dy4 Dy 0.87500 0.62500 0.25000 1.00000
Cr1 Cr 0.87500 0.12500 0.25000 1.00000
Cr2 Cr 0.87500 0.62500 0.75000 1.00000
Cr3 Cr 0.87500 0.12500 0.75000 1.00000
Cr4 Cr 0.37500 0.12500 0.25000 1.00000
O1 O 0.14564 0.42275 0.72289 1.00000
O2 O 0.69986 0.42275 0.27711 1.00000
O3 O 0.17275 0.94986 0.77711 1.00000
O4 O 0.60436 0.82725 0.77711 1.00000
O5 O 0.17275 0.39564 0.22289 1.00000
O6 O 0.05014 0.82725 0.22289 1.00000
O7 O 0.57725 0.30014 0.72289 1.00000
O8 O 0.57725 0.85436 0.27711 1.00000
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