PmH7Pd2
Alexandria ALEXAlex-ID: agm006204599 · 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
PmH7Pd5 H4Pd PmH4Pd
2024-02-01 11:10:44
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006204599).
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
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# CIF generated by HEAS from Alexandria entry agm006204599
data_agm006204599
_cell_length_a 6.60895
_cell_length_b 4.76280
_cell_length_c 4.83195
_cell_angle_alpha 123.82337
_cell_angle_beta 44.84897
_cell_angle_gamma 112.61391
_cell_volume 89.09714
_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 0.04121 0.91212 0.10112 1.00000
H2 H 0.89092 0.78365 0.67773 1.00000
H3 H 0.44573 0.61574 0.78954 1.00000
H4 H 0.22677 0.44742 0.32155 1.00000
H5 H 0.65877 0.83271 0.36401 1.00000
H6 H 0.41493 0.09203 0.32667 1.00000
H7 H 0.68244 0.29466 0.80577 1.00000
Pd1 Pd 0.36476 0.03528 0.96047 1.00000
Pd2 Pd 0.55086 0.69616 0.07549 1.00000
Pm1 Pm 0.95599 0.34762 0.04581 1.00000
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