DyYH3
Alexandria ALEXAlex-ID: agm007406496 · 空间群: P2_1/c (#14)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3_637_spg14
DyY3H8 Dy3YH8 Dy
2024-05-29 06:05:47.423667
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007406496).
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 agm007406496
data_agm007406496
_cell_length_a 5.60016
_cell_length_b 7.03463
_cell_length_c 7.19577
_cell_angle_alpha 67.76751
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 262.40324
_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 0.24463 0.94648 0.13075 1.00000
Dy2 Dy 0.75537 0.05352 0.86925 1.00000
Dy3 Dy 0.74463 0.55352 0.86925 1.00000
Dy4 Dy 0.25537 0.44648 0.13075 1.00000
Y1 Y 0.74252 0.13093 0.36507 1.00000
Y2 Y 0.25748 0.86907 0.63493 1.00000
Y3 Y 0.24252 0.36907 0.63493 1.00000
Y4 Y 0.75748 0.63093 0.36507 1.00000
H1 H 0.99881 0.88635 0.39026 1.00000
H2 H 0.00119 0.11365 0.60974 1.00000
H3 H 0.49881 0.61365 0.60974 1.00000
H4 H 0.50119 0.38635 0.39026 1.00000
H5 H 0.34592 0.11025 0.32253 1.00000
H6 H 0.65408 0.88975 0.67747 1.00000
H7 H 0.84592 0.38975 0.67747 1.00000
H8 H 0.15408 0.61025 0.32253 1.00000
H9 H 0.97093 0.23483 0.05339 1.00000
H10 H 0.02907 0.76517 0.94661 1.00000
H11 H 0.47093 0.26517 0.94661 1.00000
H12 H 0.52907 0.73483 0.05339 1.00000
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