Sc(MoOs)2
Alexandria ALEXAlex-ID: agm005409138 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_5_spg139
Mo ScOs2
2023-03-17 20:54:36.184286
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005409138).
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 agm005409138
data_agm005409138
_cell_length_a 6.00959
_cell_length_b 6.00959
_cell_length_c 6.00959
_cell_angle_alpha 138.51116
_cell_angle_beta 138.51116
_cell_angle_gamma 60.12103
_cell_volume 94.26638
_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 0.00000 0.00000 0.00000 1.00000
Mo1 Mo 0.25000 0.75000 0.50000 1.00000
Mo2 Mo 0.75000 0.25000 0.50000 1.00000
Os1 Os 0.61946 0.61946 0.00000 1.00000
Os2 Os 0.38054 0.38054 0.00000 1.00000
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