Er2H7Pd
Alexandria ALEXAlex-ID: agm006204585 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C7_796_spg12
ErH4Pd3 H4Pd ErH3
2023-12-01 00:43:44
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006204585).
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 agm006204585
data_agm006204585
_cell_length_a 4.86680
_cell_length_b 4.86594
_cell_length_c 6.69798
_cell_angle_alpha 111.28727
_cell_angle_beta 68.68691
_cell_angle_gamma 120.05129
_cell_volume 124.64198
_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 0.10649 0.77869 0.15382 1.00000
H2 H 0.84016 0.93295 0.83977 1.00000
H3 H 0.39639 0.48916 0.83980 1.00000
H4 H 0.10640 0.22226 0.15377 1.00000
H5 H 0.47323 0.85540 0.49682 1.00000
H6 H 0.55007 0.22222 0.15382 1.00000
H7 H 0.83996 0.48932 0.83991 1.00000
Pd1 Pd 0.97323 0.35580 0.99683 1.00000
Er1 Er 0.36089 0.96833 0.83390 1.00000
Er2 Er 0.58557 0.74325 0.15973 1.00000
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