Ac7PrDy4
Alexandria ALEXAlex-ID: agm006094064 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C7_181_spg2
PrDy5 Ac Pr
2023-08-14 13:36:08.794728
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006094064).
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 agm006094064
data_agm006094064
_cell_length_a 7.08510
_cell_length_b 7.01569
_cell_length_c 12.17373
_cell_angle_alpha 75.59984
_cell_angle_beta 55.25019
_cell_angle_gamma 84.81199
_cell_volume 480.57079
_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
Ac1 Ac 0.80913 0.51166 0.93778 1.00000
Ac2 Ac 0.19087 0.48834 0.06222 1.00000
Ac3 Ac 0.03871 0.29521 0.62773 1.00000
Ac4 Ac 0.96129 0.70479 0.37227 1.00000
Ac5 Ac 0.26881 0.80011 0.59344 1.00000
Ac6 Ac 0.50000 0.00000 0.00000 1.00000
Ac7 Ac 0.73119 0.19989 0.40656 1.00000
Pr1 Pr 0.00000 0.00000 0.00000 1.00000
Dy1 Dy 0.55626 0.63923 0.27116 1.00000
Dy2 Dy 0.44374 0.36077 0.72884 1.00000
Dy3 Dy 0.63463 0.83601 0.71329 1.00000
Dy4 Dy 0.36537 0.16399 0.28671 1.00000
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