ScTaOs
Alexandria ALEXAlex-ID: agm005677756 · Space group: P-62m (#189)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_7266_spg189
ScTaOs2 Ta3Os Sc11Os4
2023-06-18 11:05:31.938197
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005677756).
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 agm005677756
data_agm005677756
_cell_length_a 6.71882
_cell_length_b 8.01370
_cell_length_c 8.01370
_cell_angle_alpha 66.18815
_cell_angle_beta 65.21539
_cell_angle_gamma 65.21539
_cell_volume 341.77554
_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 0.17910 0.03711 0.53711 1.00000
Sc2 Sc 0.75332 0.96289 0.46289 1.00000
Sc3 Sc 0.32756 0.75014 0.25014 1.00000
Sc4 Sc 0.32783 0.24986 0.74986 1.00000
Sc5 Sc 0.75344 0.46266 0.96266 1.00000
Sc6 Sc 0.17875 0.53734 0.03734 1.00000
Ta1 Ta 0.00382 1.00000 0.00000 1.00000
Ta2 Ta 0.00382 0.50000 0.50000 1.00000
Ta3 Ta 0.75317 0.37508 0.37471 1.00000
Ta4 Ta 0.50295 0.62492 0.62529 1.00000
Ta5 Ta 0.50295 0.12529 0.12492 1.00000
Ta6 Ta 0.75317 0.87471 0.87508 1.00000
Os1 Os 0.75339 0.24975 0.74975 1.00000
Os2 Os 0.75288 0.75025 0.25025 1.00000
Os3 Os 0.08680 0.16669 0.16643 1.00000
Os4 Os 0.41992 0.83331 0.83357 1.00000
Os5 Os 0.41992 0.33357 0.33331 1.00000
Os6 Os 0.08680 0.66643 0.66669 1.00000
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