DyS5
Alexandria ALEXAlex-ID: agm014198112 · 空间群: Pm (#6)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB5_0_spg189
Dy10S19 DyS9
2025-01-03 18:34:02
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm014198112).
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 agm014198112
data_agm014198112
_cell_length_a 4.16422
_cell_length_b 5.74775
_cell_length_c 6.64943
_cell_angle_alpha 85.68390
_cell_angle_beta 89.96687
_cell_angle_gamma 89.97088
_cell_volume 158.70202
_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 0.00020 0.04110 0.03077 1.00000
S1 S 0.49986 0.15828 0.53757 1.00000
S2 S 0.49999 0.93424 0.30509 1.00000
S3 S 0.99986 0.52681 0.06267 1.00000
S4 S 0.50051 0.91565 0.78655 1.00000
S5 S 0.99958 0.42392 0.77735 1.00000
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