NiH6IrPd
Alexandria ALEXAlex-ID: agm007104498 · 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
ABCD6_144_spg1
Ni3H4 NiH4 H4Pd Ir
2024-03-26 06:47:11.283838
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007104498).
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 agm007104498
data_agm007104498
_cell_length_a 5.73574
_cell_length_b 3.92527
_cell_length_c 5.05523
_cell_angle_alpha 118.80170
_cell_angle_beta 70.42824
_cell_angle_gamma 132.44570
_cell_volume 73.58791
_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
Ni1 Ni 0.30502 0.39424 0.94946 1.00000
H1 H 0.55955 0.82251 0.76649 1.00000
H2 H 0.05566 0.42683 0.26251 1.00000
H3 H 0.54733 0.93164 0.27536 1.00000
H4 H 0.31981 0.20011 0.17408 1.00000
H5 H 0.07104 0.76584 0.77494 1.00000
H6 H 0.04703 0.26658 0.75903 1.00000
Ir1 Ir 0.29922 0.59554 0.51468 1.00000
Pd1 Pd 0.79537 0.59692 0.52354 1.00000
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