Dy6Mn2CuH
Alexandria ALEXAlex-ID: agm007454024 · 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
ABC2D6_224_spg148
DyH2 Dy DyCu Mn
2024-07-02 10:56:18.161265
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007454024).
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 agm007454024
data_agm007454024
_cell_length_a 6.28073
_cell_length_b 6.28030
_cell_length_c 6.46462
_cell_angle_alpha 81.33619
_cell_angle_beta 81.32930
_cell_angle_gamma 64.75599
_cell_volume 226.94258
_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 0.66908 0.66849 0.11212 1.00000
Dy2 Dy 0.36206 0.85253 0.65883 1.00000
Dy3 Dy 0.33092 0.33151 0.88788 1.00000
Dy4 Dy 0.85236 0.36187 0.65848 1.00000
Dy5 Dy 0.63794 0.14747 0.34117 1.00000
Dy6 Dy 0.14764 0.63813 0.34152 1.00000
Mn1 Mn 0.14544 0.14538 0.27279 1.00000
Mn2 Mn 0.85456 0.85462 0.72721 1.00000
Cu1 Cu 0.00000 0.00000 0.00000 1.00000
H1 H 0.50000 0.50000 0.50000 1.00000
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