DyAl(H4Pt)2
Alexandria ALEXAlex-ID: agm007450125 · 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_494_spg2
DyH6Pt H2 AlPt
2025-05-28 03:32:32
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007450125).
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 agm007450125
data_agm007450125
_cell_length_a 4.68876
_cell_length_b 4.34720
_cell_length_c 6.64996
_cell_angle_alpha 104.41784
_cell_angle_beta 76.82837
_cell_angle_gamma 117.53978
_cell_volume 115.39437
_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 0.52306 0.05508 0.54396 1.00000
Al1 Al 0.16374 0.07533 0.02660 1.00000
H1 H 0.98927 0.03214 0.64035 1.00000
H2 H 0.55278 0.73598 0.10116 1.00000
H3 H 0.98646 0.91012 0.30831 1.00000
H4 H 0.71076 0.25547 0.91327 1.00000
H5 H 0.87042 0.32900 0.27407 1.00000
H6 H 0.00379 0.59575 0.62104 1.00000
H7 H 0.38633 0.42211 0.36373 1.00000
H8 H 0.50762 0.62729 0.72955 1.00000
Pt1 Pt 0.70358 0.53233 0.18704 1.00000
Pt2 Pt 0.10219 0.42939 0.79091 1.00000
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