K4TbS8
Alexandria ALEXAlex-ID: agm098103582 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_1356_spg6
K2S3 KTbS2 KS3
2025-06-19 12:40:11
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm098103582).
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 agm098103582
data_agm098103582
_cell_length_a 4.79613
_cell_length_b 9.32818
_cell_length_c 10.22381
_cell_angle_alpha 114.76759
_cell_angle_beta 91.92406
_cell_angle_gamma 88.54549
_cell_volume 415.06358
_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
K1 K 0.95930 0.85931 0.76941 1.00000
K2 K 0.93352 0.01471 0.48268 1.00000
K3 K 0.92628 0.39563 0.87868 1.00000
K4 K 0.92256 0.49456 0.37287 1.00000
Tb1 Tb 0.47101 0.07306 0.13900 1.00000
S1 S 0.40001 0.26979 0.42062 1.00000
S2 S 0.44524 0.14351 0.90868 1.00000
S3 S 0.44515 0.80353 0.53613 1.00000
S4 S 0.71840 0.78057 0.00753 1.00000
S5 S 0.42823 0.34785 0.10768 1.00000
S6 S 0.43097 0.24101 0.61109 1.00000
S7 S 0.97393 0.95397 0.16451 1.00000
S8 S 0.44541 0.62249 0.60111 1.00000
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