Cs4Tb3ErS8
Alexandria ALEXAlex-ID: agm045758565 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D8_64_spg12
CsErS2 CsTbS2
2024-11-13 19:54:12.447087
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm045758565).
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 agm045758565
data_agm045758565
_cell_length_a 9.36021
_cell_length_b 9.36021
_cell_length_c 9.36021
_cell_angle_alpha 52.11999
_cell_angle_beta 52.11999
_cell_angle_gamma 52.11999
_cell_volume 472.48943
_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
Cs1 Cs 0.50000 0.50000 0.50000 1.00000
Cs2 Cs 0.00000 0.50000 0.00000 1.00000
Cs3 Cs 0.00000 0.00000 0.50000 1.00000
Cs4 Cs 0.50000 0.00000 0.00000 1.00000
Tb1 Tb 0.50000 0.50000 0.00000 1.00000
Tb2 Tb 0.00000 0.50000 0.50000 1.00000
Tb3 Tb 0.50000 0.00000 0.50000 1.00000
Er1 Er 0.00000 0.00000 0.00000 1.00000
S1 S 0.72996 0.22568 0.22568 1.00000
S2 S 0.22568 0.22568 0.72996 1.00000
S3 S 0.27250 0.27250 0.27250 1.00000
S4 S 0.22568 0.72996 0.22568 1.00000
S5 S 0.77432 0.27004 0.77432 1.00000
S6 S 0.72750 0.72750 0.72750 1.00000
S7 S 0.77432 0.77432 0.27004 1.00000
S8 S 0.27004 0.77432 0.77432 1.00000
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