NiH4Pt
Alexandria ALEXAlex-ID: agm007362024 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1710_spg15
NiH H3Pt
2024-03-15 18:22:16.060886
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007362024).
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
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# CIF generated by HEAS from Alexandria entry agm007362024
data_agm007362024
_cell_length_a 4.76238
_cell_length_b 4.36130
_cell_length_c 5.40057
_cell_angle_alpha 122.75523
_cell_angle_beta 84.58616
_cell_angle_gamma 81.76318
_cell_volume 91.34940
_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 0.68163 0.16770 0.44124 1.00000
Ni2 Ni 0.31837 0.83230 0.55876 1.00000
H1 H 0.48453 0.83660 0.28467 1.00000
H2 H 0.51689 0.64279 0.73566 1.00000
H3 H 0.48311 0.35721 0.26434 1.00000
H4 H 0.51547 0.16340 0.71533 1.00000
H5 H 0.93029 0.81515 0.06472 1.00000
H6 H 0.06971 0.18485 0.93528 1.00000
H7 H 0.00000 0.00000 0.50000 1.00000
H8 H 0.00000 0.50000 0.50000 1.00000
Pt1 Pt 0.21739 0.07772 0.17803 1.00000
Pt2 Pt 0.78261 0.92228 0.82197 1.00000
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