Ba2UCoS5
Alexandria ALEXAlex-ID: agm005159808 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_211_spg36
Ba5(US4)3 Co9S8 BaS Co
2023-01-19 13:53:18.959110
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005159808).
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 agm005159808
data_agm005159808
_cell_length_a 4.08478
_cell_length_b 9.05603
_cell_length_c 13.00301
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 103.03394
_cell_volume 468.61319
_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
Ba1 Ba 0.88038 0.76076 0.83387 1.00000
Ba2 Ba 0.11851 0.23701 0.69212 1.00000
Ba3 Ba 0.11962 0.23924 0.33387 1.00000
Ba4 Ba 0.88149 0.76299 0.19212 1.00000
U1 U 0.80963 0.61925 0.51880 1.00000
U2 U 0.19037 0.38075 0.01880 1.00000
Co1 Co 0.56613 0.13227 0.93277 1.00000
Co2 Co 0.43387 0.86773 0.43277 1.00000
S1 S 0.33843 0.67685 0.01339 1.00000
S2 S 0.69086 0.38172 0.88072 1.00000
S3 S 0.50474 0.00947 0.78092 1.00000
S4 S 0.30477 0.60954 0.65723 1.00000
S5 S 0.95697 0.91394 0.51415 1.00000
S6 S 0.66157 0.32315 0.51339 1.00000
S7 S 0.30914 0.61828 0.38072 1.00000
S8 S 0.49526 0.99053 0.28092 1.00000
S9 S 0.69523 0.39046 0.15723 1.00000
S10 S 0.04303 0.08606 0.01415 1.00000
Get direct link