DyNb(H4Pd)2
Alexandria ALEXAlex-ID: agm007609386 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D8_45_spg166
DyH3 Dy(HPd)4 H4Pd NbH2
2025-05-27 08:30:47
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007609386).
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 agm007609386
data_agm007609386
_cell_length_a 5.78747
_cell_length_b 4.15927
_cell_length_c 5.66313
_cell_angle_alpha 88.99518
_cell_angle_beta 122.94364
_cell_angle_gamma 109.98677
_cell_volume 105.03329
_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 0.04416 0.52685 0.50460 1.00000
Nb1 Nb 0.97704 0.96193 0.96615 1.00000
H1 H 0.11976 0.10016 0.35691 1.00000
H2 H 0.83523 0.45858 0.80473 1.00000
H3 H 0.84533 0.97107 0.56372 1.00000
H4 H 0.24650 0.90849 0.89220 1.00000
H5 H 0.73791 0.68239 0.09779 1.00000
H6 H 0.55565 0.89313 0.72221 1.00000
H7 H 0.37821 0.28830 0.25248 1.00000
H8 H 0.21972 0.76156 0.24510 1.00000
Pd1 Pd 0.54074 0.24281 0.88237 1.00000
Pd2 Pd 0.49975 0.70473 0.21174 1.00000
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