Dy2MgSe3
Alexandria ALEXAlex-ID: agm005756871 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_103_spg139
Dy5Se6 MgSe Mg
2023-08-29 17:12:25.960583
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005756871).
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 agm005756871
data_agm005756871
_cell_length_a 3.99956
_cell_length_b 3.99924
_cell_length_c 9.13616
_cell_angle_alpha 102.64154
_cell_angle_beta 102.64484
_cell_angle_gamma 90.00123
_cell_volume 138.95716
_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 0.11009 0.11126 0.22546 1.00000
Dy2 Dy 0.75859 0.75976 0.52245 1.00000
Mg1 Mg 0.43387 0.43623 0.87397 1.00000
Se1 Se 0.93412 0.93586 0.87396 1.00000
Se2 Se 0.27801 0.27918 0.56130 1.00000
Se3 Se 0.59068 0.59183 0.18662 1.00000
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