Ni2H6Pt
Alexandria ALEXAlex-ID: agm097739720 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_1652_spg38
Ni3H4 NiH4 H3Pt
2025-04-06 23:46:13
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097739720).
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}
}
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# CIF generated by HEAS from Alexandria entry agm097739720
data_agm097739720
_cell_length_a 3.59325
_cell_length_b 3.36789
_cell_length_c 6.07421
_cell_angle_alpha 73.92764
_cell_angle_beta 89.98307
_cell_angle_gamma 89.99428
_cell_volume 70.63483
_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 0.93976 0.38770 0.08673 1.00000
Ni2 Ni 0.94009 0.72347 0.41144 1.00000
H1 H 0.43902 0.40678 0.05119 1.00000
H2 H 0.43985 0.70591 0.44660 1.00000
H3 H 0.47840 0.05173 0.75837 1.00000
H4 H 0.94118 0.86474 0.13184 1.00000
H5 H 0.94072 0.55693 0.74843 1.00000
H6 H 0.94097 0.24637 0.36636 1.00000
Pt1 Pt 0.44003 0.55636 0.74904 1.00000
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