Dy4MgH8
Alexandria ALEXAlex-ID: agm098106523 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C8_2082_spg8
Mg DyH2
2025-06-16 01:19:08
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm098106523).
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
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# CIF generated by HEAS from Alexandria entry agm098106523
data_agm098106523
_cell_length_a 4.02059
_cell_length_b 7.16396
_cell_length_c 6.94595
_cell_angle_alpha 61.21379
_cell_angle_beta 89.96419
_cell_angle_gamma 103.09136
_cell_volume 169.36980
_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 0.99187 0.97150 0.04312 1.00000
Dy2 Dy 0.99162 0.97184 0.52397 1.00000
Dy3 Dy 0.24770 0.54739 0.49461 1.00000
Dy4 Dy 0.71964 0.43408 0.05231 1.00000
Mg1 Mg 0.58624 0.18010 0.68042 1.00000
H1 H 0.78919 0.10425 0.21764 1.00000
H2 H 0.08387 0.17964 0.68005 1.00000
H3 H 0.77841 0.60358 0.64682 1.00000
H4 H 0.77915 0.60457 0.28609 1.00000
H5 H 0.19377 0.36717 0.89406 1.00000
H6 H 0.19376 0.36679 0.27756 1.00000
H7 H 0.24952 0.88297 0.32766 1.00000
H8 H 0.89527 0.78611 0.87568 1.00000
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