DyMgGe2
Alexandria ALEXAlex-ID: agm005752612 · 空间群: Pnma (#62)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_469_spg62
Dy3Ge5 Dy2MgGe2 Mg2Ge
2023-07-12 06:23:36.977370
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005752612).
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 agm005752612
data_agm005752612
_cell_length_a 3.86235
_cell_length_b 8.03135
_cell_length_c 10.96848
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 340.24056
_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 0.75000 0.87964 0.14845 1.00000
Dy2 Dy 0.25000 0.12036 0.85155 1.00000
Dy3 Dy 0.75000 0.37964 0.35155 1.00000
Dy4 Dy 0.25000 0.62036 0.64845 1.00000
Mg1 Mg 0.25000 0.48623 0.10389 1.00000
Mg2 Mg 0.25000 0.98623 0.39611 1.00000
Mg3 Mg 0.75000 0.51377 0.89611 1.00000
Mg4 Mg 0.75000 0.01377 0.60389 1.00000
Ge1 Ge 0.75000 0.83376 0.80344 1.00000
Ge2 Ge 0.25000 0.16624 0.19656 1.00000
Ge3 Ge 0.75000 0.33376 0.69656 1.00000
Ge4 Ge 0.25000 0.66624 0.30344 1.00000
Ge5 Ge 0.75000 0.74133 0.45408 1.00000
Ge6 Ge 0.25000 0.75867 0.95408 1.00000
Ge7 Ge 0.75000 0.24133 0.04592 1.00000
Ge8 Ge 0.25000 0.25867 0.54592 1.00000
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