Nd2Dy2HoHg2
Alexandria ALEXAlex-ID: agm023210325 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D2_46_spg12
DyHoHg Nd2Hg Dy2Hg Nd
2025-05-24 17:38:20
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm023210325).
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 agm023210325
data_agm023210325
_cell_length_a 6.72725
_cell_length_b 6.72725
_cell_length_c 8.68034
_cell_angle_alpha 81.24990
_cell_angle_beta 98.75010
_cell_angle_gamma 147.95082
_cell_volume 205.82999
_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
Nd1 Nd 0.25654 0.74346 0.83023 1.00000
Nd2 Nd 0.74346 0.25654 0.16977 1.00000
Dy1 Dy 0.87259 0.12741 0.55148 1.00000
Dy2 Dy 0.12741 0.87259 0.44852 1.00000
Ho1 Ho 0.00000 0.00000 0.00000 1.00000
Hg1 Hg 0.45445 0.54555 0.26630 1.00000
Hg2 Hg 0.54555 0.45445 0.73370 1.00000
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