NaZnH4Pd
Alexandria ALEXAlex-ID: agm007657685 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD4_542_spg12
NaH7 Na2H6Pd Na2ZnH4 ZnPd
2024-02-09 03:15:53
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007657685).
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 agm007657685
data_agm007657685
_cell_length_a 4.67301
_cell_length_b 7.77970
_cell_length_c 5.94999
_cell_angle_alpha 92.22820
_cell_angle_beta 116.65470
_cell_angle_gamma 106.33366
_cell_volume 182.05163
_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
Na1 Na 0.26428 0.14660 0.30380 1.00000
Na2 Na 0.73572 0.85340 0.69620 1.00000
Zn1 Zn 0.41062 0.60670 0.09116 1.00000
Zn2 Zn 0.58938 0.39330 0.90884 1.00000
H1 H 0.00299 0.27330 0.51792 1.00000
H2 H 0.17866 0.77710 0.00864 1.00000
H3 H 0.99701 0.72670 0.48208 1.00000
H4 H 0.82134 0.22290 0.99136 1.00000
H5 H 0.81176 0.86162 0.14496 1.00000
H6 H 0.18824 0.13838 0.85504 1.00000
H7 H 0.30850 0.61166 0.36738 1.00000
H8 H 0.69150 0.38834 0.63262 1.00000
Pd1 Pd 0.04915 0.73045 0.23052 1.00000
Pd2 Pd 0.95085 0.26955 0.76948 1.00000
获取直接链接