DyMn2SiGe
Alexandria ALEXAlex-ID: agm005245266 · 空间群: I4mm (#107)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD2_1563_spg119
Mn3Si MnSi DyGe
2023-04-20 20:18:31.282316
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005245266).
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 agm005245266
data_agm005245266
_cell_length_a 5.97035
_cell_length_b 5.97035
_cell_length_c 5.97035
_cell_angle_alpha 141.79106
_cell_angle_beta 141.79106
_cell_angle_gamma 55.14365
_cell_volume 80.83020
_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 0.99689 0.99689 0.00000 1.00000
Mn1 Mn 0.75405 0.25405 0.50000 1.00000
Mn2 Mn 0.25405 0.75405 0.50000 1.00000
Si1 Si 0.37807 0.37807 0.00000 1.00000
Ge1 Ge 0.61694 0.61694 0.00000 1.00000
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