Dy5(SiH)2
Alexandria ALEXAlex-ID: agm007100769 · 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_224_spg12
Dy5Si3 Dy DyH2
2024-05-29 05:25:32.091638
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007100769).
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 agm007100769
data_agm007100769
_cell_length_a 6.07314
_cell_length_b 6.07314
_cell_length_c 8.05910
_cell_angle_alpha 80.47570
_cell_angle_beta 80.47570
_cell_angle_gamma 39.64146
_cell_volume 186.67984
_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 0.69129 0.69129 0.65909 1.00000
Dy2 Dy 0.30871 0.30871 0.34091 1.00000
Dy3 Dy 0.61925 0.61925 0.13114 1.00000
Dy4 Dy 0.38075 0.38075 0.86886 1.00000
Dy5 Dy 0.00000 0.00000 0.50000 1.00000
Si1 Si 0.07949 0.07949 0.87397 1.00000
Si2 Si 0.92051 0.92051 0.12603 1.00000
H1 H 0.13935 0.13935 0.25253 1.00000
H2 H 0.86065 0.86065 0.74747 1.00000
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