PmDy(H3Au)2
Alexandria ALEXAlex-ID: agm007723331 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D6_13_spg15
PmH3 DyH3 DyAu4 H6Au
2025-04-28 17:55:44
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007723331).
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 agm007723331
data_agm007723331
_cell_length_a 6.25895
_cell_length_b 6.25895
_cell_length_c 6.27820
_cell_angle_alpha 78.43586
_cell_angle_beta 101.56414
_cell_angle_gamma 82.22299
_cell_volume 232.08187
_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
Pm1 Pm 0.17643 0.17643 0.75000 1.00000
Pm2 Pm 0.82357 0.82357 0.25000 1.00000
Dy1 Dy 0.58441 0.58441 0.75000 1.00000
Dy2 Dy 0.41559 0.41559 0.25000 1.00000
H1 H 0.55321 0.93187 0.86383 1.00000
H2 H 0.93187 0.55321 0.63617 1.00000
H3 H 0.44679 0.06813 0.13617 1.00000
H4 H 0.06813 0.44679 0.36383 1.00000
H5 H 0.82619 0.20527 0.93872 1.00000
H6 H 0.20527 0.82619 0.56128 1.00000
H7 H 0.17381 0.79473 0.06128 1.00000
H8 H 0.79473 0.17381 0.43872 1.00000
H9 H 0.40217 0.37101 0.59231 1.00000
H10 H 0.37101 0.40217 0.90769 1.00000
H11 H 0.59783 0.62899 0.40769 1.00000
H12 H 0.62899 0.59783 0.09231 1.00000
Au1 Au 0.94578 0.31193 0.16018 1.00000
Au2 Au 0.31193 0.94578 0.33982 1.00000
Au3 Au 0.05422 0.68807 0.83982 1.00000
Au4 Au 0.68807 0.05422 0.66018 1.00000
获取直接链接