Dy2Er2Mg5
Alexandria ALEXAlex-ID: agm009359213 · 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
A2B2C5_1172_spg12
DyErMg2 DyMg3 ErMg
2024-05-04 12:35:11.657925
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009359213).
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 agm009359213
data_agm009359213
_cell_length_a 6.34422
_cell_length_b 6.34422
_cell_length_c 11.35370
_cell_angle_alpha 73.18960
_cell_angle_beta 73.18960
_cell_angle_gamma 33.51786
_cell_volume 240.55615
_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 0.32051 0.32051 0.72432 1.00000
Dy2 Dy 0.67949 0.67949 0.27568 1.00000
Er1 Er 0.00721 0.00721 0.83222 1.00000
Er2 Er 0.99279 0.99279 0.16778 1.00000
Mg1 Mg 0.34281 0.34281 0.40481 1.00000
Mg2 Mg 0.65719 0.65719 0.59519 1.00000
Mg3 Mg 0.67035 0.67035 0.96015 1.00000
Mg4 Mg 0.32965 0.32965 0.03985 1.00000
Mg5 Mg 0.00000 0.00000 0.50000 1.00000
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