Pm2HPd
Alexandria ALEXAlex-ID: agm003636588 · 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
ABC2_1156_spg71
PmH2 Pm7Pd3 PmPd
2022-04-14 13:01:31.363205
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003636588).
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 agm003636588
data_agm003636588
_cell_length_a 3.85412
_cell_length_b 7.02860
_cell_length_c 7.27172
_cell_angle_alpha 111.47517
_cell_angle_beta 105.42103
_cell_angle_gamma 89.96130
_cell_volume 175.68052
_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
Pm1 Pm 0.34948 0.04825 0.27497 1.00000
Pm2 Pm 0.03914 0.51129 0.65228 1.00000
Pm3 Pm 0.62174 0.04826 0.81863 1.00000
Pm4 Pm 0.31138 0.51130 0.19594 1.00000
H1 H 0.21553 0.16655 0.00580 1.00000
H2 H 0.44535 0.39302 0.46511 1.00000
Pd1 Pd 0.71422 0.71070 0.00287 1.00000
Pd2 Pd 0.94659 0.84879 0.46806 1.00000
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