ScH4Os
Alexandria ALEXAlex-ID: agm006707207 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_395_spg14
ScH3 ScH5Os Os
2024-02-24 13:14:11
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006707207).
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 agm006707207
data_agm006707207
_cell_length_a 4.53411
_cell_length_b 3.74721
_cell_length_c 6.09262
_cell_angle_alpha 106.94984
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 99.01829
_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 0.25000 0.86334 0.72968 1.00000
Sc2 Sc 0.75000 0.13666 0.27032 1.00000
H1 H 0.98088 0.70683 0.41065 1.00000
H2 H 0.48088 0.29317 0.58935 1.00000
H3 H 0.51912 0.70683 0.41065 1.00000
H4 H 0.01912 0.29317 0.58935 1.00000
H5 H 0.75000 0.88873 0.78501 1.00000
H6 H 0.25000 0.11127 0.21499 1.00000
H7 H 0.00000 0.50000 0.00000 1.00000
H8 H 0.50000 0.50000 0.00000 1.00000
Os1 Os 0.25000 0.61337 0.21471 1.00000
Os2 Os 0.75000 0.38663 0.78529 1.00000
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