TbScOs
Alexandria ALEXAlex-ID: agm005644564 · Space group: P-62m (#189)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_7266_spg189
TbScOs
2023-06-18 10:04:41.851370
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005644564).
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 agm005644564
data_agm005644564
_cell_length_a 7.33249
_cell_length_b 8.44271
_cell_length_c 8.44271
_cell_angle_alpha 59.49237
_cell_angle_beta 64.26242
_cell_angle_gamma 64.26243
_cell_volume 389.93047
_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
Tb1 Tb 0.16757 0.04280 0.54280 1.00000
Tb2 Tb 0.75317 0.95720 0.45720 1.00000
Tb3 Tb 0.33892 0.75000 0.25000 1.00000
Tb4 Tb 0.33892 0.25000 0.75000 1.00000
Tb5 Tb 0.75324 0.45718 0.95718 1.00000
Tb6 Tb 0.16760 0.54282 0.04282 1.00000
Sc1 Sc 0.00397 0.00000 0.00000 1.00000
Sc2 Sc 0.00397 0.50000 0.50000 1.00000
Sc3 Sc 0.75331 0.37474 0.37467 1.00000
Sc4 Sc 0.50272 0.62526 0.62533 1.00000
Sc5 Sc 0.50272 0.12533 0.12526 1.00000
Sc6 Sc 0.75331 0.87467 0.87474 1.00000
Os1 Os 0.75342 0.24999 0.74999 1.00000
Os2 Os 0.75340 0.75001 0.25001 1.00000
Os3 Os 0.08664 0.16672 0.16669 1.00000
Os4 Os 0.42005 0.83328 0.83331 1.00000
Os5 Os 0.42005 0.33331 0.33328 1.00000
Os6 Os 0.08664 0.66669 0.66672 1.00000
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