Mg2H5Pd2
Alexandria ALEXAlex-ID: agm007185993 · 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
A2B2C5_213_spg12
MgH6 Mg(HPd)2 MgPd
2024-08-14 02:25:06.795438
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007185993).
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 agm007185993
data_agm007185993
_cell_length_a 5.55586
_cell_length_b 5.55586
_cell_length_c 4.96938
_cell_angle_alpha 74.38328
_cell_angle_beta 74.38328
_cell_angle_gamma 35.72845
_cell_volume 85.91555
_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
Mg1 Mg 0.61006 0.61006 0.17700 1.00000
Mg2 Mg 0.38994 0.38994 0.82300 1.00000
H1 H 0.66147 0.66147 0.58126 1.00000
H2 H 0.33853 0.33853 0.41874 1.00000
H3 H 0.81752 0.81752 0.02330 1.00000
H4 H 0.18248 0.18248 0.97670 1.00000
H5 H 0.00000 0.00000 0.50000 1.00000
Pd1 Pd 0.87064 0.87064 0.32956 1.00000
Pd2 Pd 0.12936 0.12936 0.67044 1.00000
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