Tm(S3Br)2
Alexandria ALEXAlex-ID: agm005671205 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_3188_spg12
TmS13 S8Br TmBr3
2023-07-09 16:23:53.141418
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005671205).
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 agm005671205
data_agm005671205
_cell_length_a 4.13561
_cell_length_b 9.07475
_cell_length_c 8.51645
_cell_angle_alpha 116.28328
_cell_angle_beta 91.70391
_cell_angle_gamma 93.14585
_cell_volume 285.62201
_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 0.00000 0.00000 1.00000
S1 S 0.89915 0.53958 0.28518 1.00000
S2 S 0.10085 0.46042 0.71482 1.00000
S3 S 0.87481 0.70685 0.70929 1.00000
S4 S 0.90065 0.27633 0.49862 1.00000
S5 S 0.09935 0.72367 0.50138 1.00000
S6 S 0.12519 0.29315 0.29071 1.00000
Br1 Br 0.49958 0.87977 0.13338 1.00000
Br2 Br 0.50042 0.12023 0.86662 1.00000
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