Dy2H5Pd2
Alexandria ALEXAlex-ID: agm007328073 · 空间群: P4/mmm (#123)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C5_121_spg123
Dy3H2Pd9 Dy(HPd)4 DyH3
2024-07-09 18:40:50.898751
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007328073).
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}
}
晶体结构 3D 渲染
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# CIF generated by HEAS from Alexandria entry agm007328073
data_agm007328073
_cell_length_a 7.88221
_cell_length_b 7.88221
_cell_length_c 7.88221
_cell_angle_alpha 140.66117
_cell_angle_beta 140.64221
_cell_angle_gamma 56.86513
_cell_volume 195.24937
_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 0.90697 0.00000 0.90697 1.00000
Dy2 Dy 0.40697 0.50000 0.90697 1.00000
Dy3 Dy 0.15701 0.24976 0.90678 1.00000
Dy4 Dy 0.65701 0.75024 0.90725 1.00000
H1 H 0.03547 0.62844 0.90697 1.00000
H2 H 0.27853 0.37156 0.40703 1.00000
H3 H 0.53547 0.62850 0.40703 1.00000
H4 H 0.77853 0.37150 0.90697 1.00000
H5 H 0.27813 0.87080 0.90714 1.00000
H6 H 0.03634 0.12920 0.40733 1.00000
H7 H 0.77813 0.87099 0.40733 1.00000
H8 H 0.53634 0.12901 0.90714 1.00000
H9 H 0.15723 0.75260 0.40984 1.00000
H10 H 0.65723 0.24740 0.40463 1.00000
Pd1 Pd 0.52317 0.11590 0.40705 1.00000
Pd2 Pd 0.29115 0.88410 0.40727 1.00000
Pd3 Pd 0.02317 0.61612 0.40727 1.00000
Pd4 Pd 0.79115 0.38388 0.40705 1.00000
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