Pa2H7Pd
Alexandria ALEXAlex-ID: agm006204635 · 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
AB2C7_1568_spg1
PaPd5 PaH4 PaPd3
2023-12-01 03:37:33
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006204635).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm006204635
data_agm006204635
_cell_length_a 4.32541
_cell_length_b 4.29195
_cell_length_c 6.59839
_cell_angle_alpha 109.77081
_cell_angle_beta 70.18054
_cell_angle_gamma 121.06261
_cell_volume 96.66642
_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
H1 H 0.05717 0.71786 0.16458 1.00000
H2 H 0.79097 0.92989 0.92360 1.00000
H3 H 0.32835 0.46502 0.93054 1.00000
H4 H 0.06535 0.18789 0.15252 1.00000
H5 H 0.72303 0.25219 0.55001 1.00000
H6 H 0.53322 0.19257 0.15996 1.00000
H7 H 0.77607 0.47026 0.93814 1.00000
Pa1 Pa 0.32625 0.92322 0.84929 1.00000
Pa2 Pa 0.52607 0.73212 0.23910 1.00000
Pd1 Pd 0.10591 0.18635 0.56044 1.00000
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