Sc4NbH10
Alexandria ALEXAlex-ID: agm006524933 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C10_58_spg166
Sc3NbH8 ScH2
2024-04-21 22:57:56.622721
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006524933).
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 agm006524933
data_agm006524933
_cell_length_a 13.60526
_cell_length_b 13.60526
_cell_length_c 13.60526
_cell_angle_alpha 14.10221
_cell_angle_beta 14.10221
_cell_angle_gamma 14.10221
_cell_volume 130.13064
_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
Sc1 Sc 0.39922 0.39922 0.39922 1.00000
Sc2 Sc 0.79942 0.79942 0.79942 1.00000
Sc3 Sc 0.20058 0.20058 0.20058 1.00000
Sc4 Sc 0.60078 0.60078 0.60078 1.00000
Nb1 Nb 0.00000 0.00000 0.00000 1.00000
H1 H 0.95212 0.95212 0.95212 1.00000
H2 H 0.14975 0.14975 0.14975 1.00000
H3 H 0.55078 0.55078 0.55078 1.00000
H4 H 0.34758 0.34758 0.34758 1.00000
H5 H 0.74862 0.74862 0.74862 1.00000
H6 H 0.65242 0.65242 0.65242 1.00000
H7 H 0.85025 0.85025 0.85025 1.00000
H8 H 0.25138 0.25138 0.25138 1.00000
H9 H 0.04788 0.04788 0.04788 1.00000
H10 H 0.44922 0.44922 0.44922 1.00000
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