Tm6AsS5
Alexandria ALEXAlex-ID: agm006124271 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_83_spg12
Tm4AsS3 TmS
2023-09-09 07:06:30.747078
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006124271).
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 agm006124271
data_agm006124271
_cell_length_a 6.71544
_cell_length_b 6.71544
_cell_length_c 6.73241
_cell_angle_alpha 99.51767
_cell_angle_beta 99.51768
_cell_angle_gamma 120.07164
_cell_volume 247.92945
_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
As1 As 0.00000 0.00000 0.00000 1.00000
Tm1 Tm 0.91350 0.57853 0.74439 1.00000
Tm2 Tm 0.42147 0.08650 0.25561 1.00000
Tm3 Tm 0.74827 0.74827 0.25479 1.00000
Tm4 Tm 0.25173 0.25173 0.74521 1.00000
Tm5 Tm 0.57853 0.91350 0.74439 1.00000
Tm6 Tm 0.08650 0.42147 0.25561 1.00000
S1 S 0.83476 0.16524 0.50000 1.00000
S2 S 0.66724 0.33276 1.00000 1.00000
S3 S 0.50000 0.50000 0.50000 1.00000
S4 S 0.33276 0.66724 0.00000 1.00000
S5 S 0.16524 0.83476 0.50000 1.00000
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