TmS3
Alexandria ALEXAlex-ID: agm010212929 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3_53_spg51
TmS13 Tm2S3
2024-04-24 07:52:07.576285
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010212929).
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
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# CIF generated by HEAS from Alexandria entry agm010212929
data_agm010212929
_cell_length_a 3.80346
_cell_length_b 3.80311
_cell_length_c 12.29629
_cell_angle_alpha 90.63052
_cell_angle_beta 97.65404
_cell_angle_gamma 93.21893
_cell_volume 175.97170
_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
Tm1 Tm 0.82024 0.25095 0.64430 1.00000
Tm2 Tm 0.17976 0.74905 0.35570 1.00000
S1 S 0.14174 0.30984 0.16930 1.00000
S2 S 0.85826 0.69016 0.83070 1.00000
S3 S 0.47324 0.30536 0.83081 1.00000
S4 S 0.52676 0.69464 0.16919 1.00000
S5 S 0.71114 0.24675 0.41473 1.00000
S6 S 0.28886 0.75325 0.58527 1.00000
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