Dy2Fe5H2
Alexandria ALEXAlex-ID: agm007167647 · 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_837_spg12
Dy5Fe19 Fe DyH2
2024-05-29 04:39:40.542367
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007167647).
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 agm007167647
data_agm007167647
_cell_length_a 4.36911
_cell_length_b 4.36911
_cell_length_c 9.36654
_cell_angle_alpha 85.89676
_cell_angle_beta 85.89676
_cell_angle_gamma 42.83346
_cell_volume 121.20062
_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 0.73349 0.73349 0.82189 1.00000
Dy2 Dy 0.26651 0.26651 0.17811 1.00000
Fe1 Fe 0.95737 0.95737 0.36036 1.00000
Fe2 Fe 0.04263 0.04263 0.63964 1.00000
Fe3 Fe 0.34269 0.34269 0.55346 1.00000
Fe4 Fe 0.65731 0.65731 0.44654 1.00000
Fe5 Fe 0.00000 0.00000 0.00000 1.00000
H1 H 0.45509 0.45509 0.70833 1.00000
H2 H 0.54491 0.54491 0.29167 1.00000
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