Dy4YMg5
Alexandria ALEXAlex-ID: agm014725508 · 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
AB4C5_323_spg12
DyYMg2 DyMg
2024-11-07 22:18:21.087632
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm014725508).
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 agm014725508
data_agm014725508
_cell_length_a 8.43588
_cell_length_b 8.43588
_cell_length_c 6.54626
_cell_angle_alpha 75.50870
_cell_angle_beta 75.50870
_cell_angle_gamma 37.28492
_cell_volume 272.18868
_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 0.39984 0.39984 0.40055 1.00000
Dy2 Dy 0.79980 0.79980 0.79924 1.00000
Dy3 Dy 0.20020 0.20020 0.20076 1.00000
Dy4 Dy 0.60016 0.60016 0.59945 1.00000
Y1 Y 0.00000 0.00000 0.00000 1.00000
Mg1 Mg 0.80001 0.80001 0.29925 1.00000
Mg2 Mg 0.19999 0.19999 0.70075 1.00000
Mg3 Mg 0.60014 0.60014 0.09960 1.00000
Mg4 Mg 0.00000 0.00000 0.50000 1.00000
Mg5 Mg 0.39986 0.39986 0.90040 1.00000
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