Dy2Zn3Ge2
Alexandria ALEXAlex-ID: agm003306643 · 空间群: Cmmm (#65)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C3_6_spg65
Dy4Zn5Ge6 Dy2Zn17 DyZnGe
2022-02-04 01:25:54.099288
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003306643).
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 agm003306643
data_agm003306643
_cell_length_a 4.06602
_cell_length_b 3.80667
_cell_length_c 9.75002
_cell_angle_alpha 101.25720
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 148.00724
_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 0.00000 0.83651 0.67301 1.00000
Dy2 Dy 0.00000 0.16349 0.32699 1.00000
Zn1 Zn 0.50000 0.56520 0.13041 1.00000
Zn2 Zn 0.50000 0.43480 0.86959 1.00000
Zn3 Zn 0.00000 0.00000 0.00000 1.00000
Ge1 Ge 0.50000 0.70524 0.41048 1.00000
Ge2 Ge 0.50000 0.29476 0.58952 1.00000
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