TbGaS14
Alexandria ALEXAlex-ID: agm013169128 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_118_spg15
Tb10S19 TbS18 Ga2S3
2024-12-06 08:26:23
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm013169128).
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 agm013169128
data_agm013169128
_cell_length_a 8.46283
_cell_length_b 8.46283
_cell_length_c 14.24254
_cell_angle_alpha 82.15234
_cell_angle_beta 97.84766
_cell_angle_gamma 127.06517
_cell_volume 804.42030
_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 0.50000 0.00000 0.00000 1.00000
Tb2 Tb 0.00000 0.50000 0.50000 1.00000
Ga1 Ga 0.44854 0.44854 0.75000 1.00000
Ga2 Ga 0.55146 0.55146 0.25000 1.00000
S1 S 0.08109 0.20208 0.20457 1.00000
S2 S 0.91891 0.79792 0.79543 1.00000
S3 S 0.79792 0.91891 0.70457 1.00000
S4 S 0.20208 0.08109 0.29543 1.00000
S5 S 0.15878 0.38556 0.65592 1.00000
S6 S 0.84122 0.61444 0.34408 1.00000
S7 S 0.61444 0.84122 0.15592 1.00000
S8 S 0.38556 0.15878 0.84408 1.00000
S9 S 0.01100 0.10470 0.60811 1.00000
S10 S 0.98900 0.89530 0.39189 1.00000
S11 S 0.89530 0.98900 0.10811 1.00000
S12 S 0.10470 0.01100 0.89189 1.00000
S13 S 0.36517 0.73869 0.38435 1.00000
S14 S 0.93124 0.63106 0.03364 1.00000
S15 S 0.26131 0.63483 0.88435 1.00000
S16 S 0.36894 0.06876 0.53364 1.00000
S17 S 0.63483 0.26131 0.61565 1.00000
S18 S 0.06876 0.36894 0.96636 1.00000
S19 S 0.73869 0.36517 0.11565 1.00000
S20 S 0.63106 0.93124 0.46636 1.00000
S21 S 0.51253 0.65550 0.86673 1.00000
S22 S 0.22029 0.80778 0.61711 1.00000
S23 S 0.34450 0.48747 0.36673 1.00000
S24 S 0.19222 0.77971 0.11711 1.00000
S25 S 0.48747 0.34450 0.13327 1.00000
S26 S 0.77971 0.19222 0.38289 1.00000
S27 S 0.65550 0.51253 0.63327 1.00000
S28 S 0.80778 0.22029 0.88289 1.00000
