NbH8Os2Pt
Alexandria ALEXAlex-ID: agm007182274 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_466_spg2
NbPt2 NbH2 Os H2
2024-03-16 04:51:08.238348
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007182274).
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 agm007182274
data_agm007182274
_cell_length_a 6.70941
_cell_length_b 4.72829
_cell_length_c 4.79444
_cell_angle_alpha 121.26923
_cell_angle_beta 92.74138
_cell_angle_gamma 120.26000
_cell_volume 101.95502
_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
H1 H 0.79975 0.60649 0.34899 1.00000
H2 H 0.32764 0.77499 0.48592 1.00000
H3 H 0.20025 0.39351 0.65101 1.00000
H4 H 0.82685 0.16372 0.89180 1.00000
H5 H 0.17315 0.83628 0.10820 1.00000
H6 H 0.69570 0.80796 0.08873 1.00000
H7 H 0.30430 0.19204 0.91127 1.00000
H8 H 0.67236 0.22501 0.51408 1.00000
Os1 Os 0.39211 0.72378 0.09776 1.00000
Os2 Os 0.60789 0.27622 0.90224 1.00000
Pt1 Pt 0.00000 0.00000 0.00000 1.00000
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