PrH7Pd2
Alexandria ALEXAlex-ID: agm006204563 · 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_523_spg12
PrH7Pd5 PrH4Pd H4Pd
2024-02-01 11:13:29
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006204563).
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 agm006204563
data_agm006204563
_cell_length_a 4.79053
_cell_length_b 6.55649
_cell_length_c 4.57531
_cell_angle_alpha 134.12490
_cell_angle_beta 62.42221
_cell_angle_gamma 110.13973
_cell_volume 91.38095
_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 0.93783 0.91469 0.32082 1.00000
H2 H 0.96918 0.88230 0.79222 1.00000
H3 H 0.39737 0.64785 0.80414 1.00000
H4 H 0.35652 0.28407 0.10498 1.00000
H5 H 0.40193 0.67495 0.36720 1.00000
H6 H 0.48356 0.09755 0.31740 1.00000
H7 H 0.79501 0.44224 0.68470 1.00000
Pd1 Pd 0.29783 0.95949 0.95572 1.00000
Pd2 Pd 0.65646 0.78059 0.07693 1.00000
Pr1 Pr 0.93671 0.37368 0.04406 1.00000
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