NbSnH6
Alexandria ALEXAlex-ID: agm076014682 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_2187_spg160
SnH2 NbH2 H2
2025-06-26 22:09:33
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm076014682).
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 agm076014682
data_agm076014682
_cell_length_a 5.15483
_cell_length_b 6.36663
_cell_length_c 5.15433
_cell_angle_alpha 52.42738
_cell_angle_beta 35.87458
_cell_angle_gamma 52.41723
_cell_volume 76.08666
_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 0.11315 0.28952 0.48920 1.00000
Sn1 Sn 0.93824 0.89189 0.31502 1.00000
H1 H 0.58317 0.48291 0.95974 1.00000
H2 H 0.55543 0.19054 0.93167 1.00000
H3 H 0.25968 0.36359 0.63488 1.00000
H4 H 0.84857 0.59641 0.22496 1.00000
H5 H 0.85466 0.46803 0.22099 1.00000
H6 H 0.09710 0.96711 0.47354 1.00000
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