NbAl2H8Pt
Alexandria ALEXAlex-ID: agm007182263 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_424_spg12
AlH9 Al3Pt2 NbH2 H2
2025-04-29 18:01:01
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007182263).
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 agm007182263
data_agm007182263
_cell_length_a 3.93489
_cell_length_b 3.34062
_cell_length_c 8.59506
_cell_angle_alpha 79.03233
_cell_angle_beta 101.54714
_cell_angle_gamma 115.07341
_cell_volume 99.55369
_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
Nb1 Nb 0.50000 0.50000 0.50000 1.00000
Al1 Al 0.82179 0.27341 0.26123 1.00000
Al2 Al 0.17821 0.72659 0.73877 1.00000
H1 H 0.59680 0.99106 0.61681 1.00000
H2 H 0.42564 0.15839 0.10403 1.00000
H3 H 0.40320 0.00894 0.38319 1.00000
H4 H 0.30976 0.51346 0.27934 1.00000
H5 H 0.69024 0.48654 0.72066 1.00000
H6 H 0.78635 0.80472 0.16351 1.00000
H7 H 0.21365 0.19528 0.83649 1.00000
H8 H 0.57436 0.84161 0.89597 1.00000
Pt1 Pt 0.00000 0.00000 0.00000 1.00000
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