KTmS14
Alexandria ALEXAlex-ID: agm013176152 · Space group: Cc (#9)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_345_spg1
TmS13 KS12 Tm2S3
2024-12-27 23:30:14.727140
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm013176152).
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 agm013176152
data_agm013176152
_cell_length_a 7.52435
_cell_length_b 9.45705
_cell_length_c 16.40301
_cell_angle_alpha 106.52962
_cell_angle_beta 89.91317
_cell_angle_gamma 113.51150
_cell_volume 1017.71302
_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 0.46065 0.04317 0.18656 1.00000
K2 K 0.58295 0.04382 0.68663 1.00000
Tm1 Tm 0.66303 0.49164 0.48535 1.00000
Tm2 Tm 0.82861 0.49153 0.98546 1.00000
S1 S 0.10867 0.86198 0.75668 1.00000
S2 S 0.90247 0.06705 0.36245 1.00000
S3 S 0.75277 0.86214 0.25674 1.00000
S4 S 0.16397 0.06675 0.86251 1.00000
S5 S 0.01840 0.81413 0.09176 1.00000
S6 S 0.86465 0.24965 0.85934 1.00000
S7 S 0.79583 0.81417 0.59187 1.00000
S8 S 0.38532 0.24978 0.35919 1.00000
S9 S 0.82089 0.90526 0.14166 1.00000
S10 S 0.91040 0.07840 0.90285 1.00000
S11 S 0.08447 0.90533 0.64167 1.00000
S12 S 0.16744 0.07853 0.40270 1.00000
S13 S 0.31511 0.49800 0.89962 1.00000
S14 S 0.11217 0.37903 0.55836 1.00000
S15 S 0.18376 0.49830 0.39952 1.00000
S16 S 0.26632 0.37899 0.05864 1.00000
S17 S 0.57112 0.46562 0.11475 1.00000
S18 S 0.00993 0.64332 0.42582 1.00000
S19 S 0.89389 0.46564 0.61452 1.00000
S20 S 0.63416 0.64306 0.92590 1.00000
S21 S 0.42726 0.66084 0.47271 1.00000
S22 S 0.18433 0.55687 0.10026 1.00000
S23 S 0.23423 0.66059 0.97285 1.00000
S24 S 0.37221 0.55687 0.60013 1.00000
S25 S 0.64381 0.26637 0.55667 1.00000
S26 S 0.74577 0.51828 0.83506 1.00000
S27 S 0.62161 0.26632 0.05679 1.00000
S28 S 0.77377 0.51856 0.33499 1.00000
