Dy(ErGa3)2
Alexandria ALEXAlex-ID: agm017181415 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_68_spg2
Dy2ErGa6 ErGa2
2024-12-31 04:23:02
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017181415).
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 agm017181415
data_agm017181415
_cell_length_a 5.84791
_cell_length_b 5.84791
_cell_length_c 5.84791
_cell_angle_alpha 76.96197
_cell_angle_beta 76.96197
_cell_angle_gamma 76.96197
_cell_volume 186.56528
_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 0.00000 0.00000 1.00000
Er1 Er 0.66677 0.66677 0.66677 1.00000
Er2 Er 0.33323 0.33323 0.33323 1.00000
Ga1 Ga 0.50000 0.16676 0.83324 1.00000
Ga2 Ga 0.16676 0.83324 0.50000 1.00000
Ga3 Ga 0.50000 0.83324 0.16676 1.00000
Ga4 Ga 0.16676 0.50000 0.83324 1.00000
Ga5 Ga 0.83324 0.16676 0.50000 1.00000
Ga6 Ga 0.83324 0.50000 0.16676 1.00000
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