Li2Dy2Bi2H
Alexandria ALEXAlex-ID: agm006403102 · 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
AB2C2D2_1_spg139
Li3DyBi2 Dy5Bi3 DyH2 DyBi
2024-03-01 17:49:14.196384
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006403102).
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 agm006403102
data_agm006403102
_cell_length_a 8.39103
_cell_length_b 8.39103
_cell_length_c 8.39103
_cell_angle_alpha 149.59554
_cell_angle_beta 149.59554
_cell_angle_gamma 43.53543
_cell_volume 150.91527
_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
Li1 Li 0.00000 0.50000 0.50000 1.00000
Li2 Li 0.50000 0.00000 0.50000 1.00000
Dy1 Dy 0.16364 0.16364 0.00000 1.00000
Dy2 Dy 0.83636 0.83636 0.00000 1.00000
Bi1 Bi 0.36791 0.36791 0.00000 1.00000
Bi2 Bi 0.63209 0.63209 0.00000 1.00000
H1 H 0.00000 0.00000 0.00000 1.00000
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