Tm3(SbS)2
Alexandria ALEXAlex-ID: agm003308565 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_84_spg12
TmSb Tm2S3 Sb
2022-02-03 23:41:43.356236
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003308565).
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 agm003308565
data_agm003308565
_cell_length_a 3.96123
_cell_length_b 7.55609
_cell_length_c 7.82554
_cell_angle_alpha 113.54402
_cell_angle_beta 104.66081
_cell_angle_gamma 90.00000
_cell_volume 206.38490
_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 0.00000 0.50000 0.00000 1.00000
Tm2 Tm 0.27414 0.73761 0.54828 1.00000
Tm3 Tm 0.72586 0.26239 0.45172 1.00000
Sb1 Sb 0.62948 0.81563 0.25896 1.00000
Sb2 Sb 0.37052 0.18437 0.74104 1.00000
S1 S 0.86065 0.63993 0.72130 1.00000
S2 S 0.13935 0.36007 0.27870 1.00000
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