Ni2H7Pt3
Alexandria ALEXAlex-ID: agm101937331 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_962_spg1
NiH H3Pt NiPt
2025-05-16 12:42:45
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm101937331).
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}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm101937331
data_agm101937331
_cell_length_a 5.24780
_cell_length_b 5.01253
_cell_length_c 5.58532
_cell_angle_alpha 70.26817
_cell_angle_beta 54.35877
_cell_angle_gamma 56.27210
_cell_volume 99.28120
_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 0.80995 0.56094 0.00712 1.00000
Ni2 Ni 0.46613 0.19360 0.01088 1.00000
H1 H 0.54430 0.56102 0.40394 1.00000
H2 H 0.06639 0.53977 0.11962 1.00000
H3 H 0.37627 0.88950 0.13027 1.00000
H4 H 0.28592 0.15068 0.38844 1.00000
H5 H 0.06723 0.56174 0.62411 1.00000
H6 H 0.57057 0.50014 0.91367 1.00000
H7 H 0.88097 0.90540 0.87125 1.00000
Pt1 Pt 0.12948 0.90187 0.00205 1.00000
Pt2 Pt 0.48761 0.21547 0.50736 1.00000
Pt3 Pt 0.81518 0.51986 0.52129 1.00000
Get direct link