Pm2ReH6Pd
Alexandria ALEXAlex-ID: agm007304337 · 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
ABC2D6_0_spg164
PmH3 Pm2HPd6 PmH4Pd Re
2024-03-26 06:33:07.310879
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007304337).
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 agm007304337
data_agm007304337
_cell_length_a 4.80670
_cell_length_b 4.80532
_cell_length_c 5.84876
_cell_angle_alpha 89.45073
_cell_angle_beta 90.67311
_cell_angle_gamma 118.34577
_cell_volume 118.88600
_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 0.34027 0.66041 0.23272 1.00000
Pm2 Pm 0.66072 0.33859 0.76807 1.00000
Re1 Re 0.00051 0.99951 0.00039 1.00000
H1 H 0.16231 0.38305 0.87870 1.00000
H2 H 0.13604 0.86308 0.75517 1.00000
H3 H 0.83869 0.61593 0.12210 1.00000
H4 H 0.38484 0.16214 0.12187 1.00000
H5 H 0.86498 0.13593 0.24561 1.00000
H6 H 0.61614 0.83685 0.87891 1.00000
Pd1 Pd 0.00046 0.99954 0.50041 1.00000
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