Dy2HoAg4
Alexandria ALEXAlex-ID: agm040394205 · 空间群: I4mm (#107)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_1744_spg107
Dy3HoAg8 Dy4HoAg5 DyHo3Ag8
2025-04-17 13:42:17
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm040394205).
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}
}
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# CIF generated by HEAS from Alexandria entry agm040394205
data_agm040394205
_cell_length_a 3.63999
_cell_length_b 3.63999
_cell_length_c 12.38511
_cell_angle_alpha 81.43659
_cell_angle_beta 98.56341
_cell_angle_gamma 90.05672
_cell_volume 160.42103
_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 0.56341 0.43659 0.07978 1.00000
Dy2 Dy 0.71472 0.28528 0.38160 1.00000
Ho1 Ho 0.86515 0.13485 0.68216 1.00000
Ag1 Ag 0.99305 0.00695 0.93998 1.00000
Ag2 Ag 0.29265 0.70735 0.53773 1.00000
Ag3 Ag 0.13722 0.86278 0.22638 1.00000
Ag4 Ag 0.43456 0.56544 0.82037 1.00000
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