Tm3Sb2S
Alexandria ALEXAlex-ID: agm005648775 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_36_spg70
TmSb TmS
2023-08-25 04:41:00.223789
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005648775).
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 agm005648775
data_agm005648775
_cell_length_a 7.25400
_cell_length_b 7.25400
_cell_length_c 13.19199
_cell_angle_alpha 100.55125
_cell_angle_beta 100.55125
_cell_angle_gamma 109.51059
_cell_volume 620.49503
_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 0.16520 0.67817 0.82635 1.00000
Tm2 Tm 0.66115 0.14818 0.82635 1.00000
Tm3 Tm 0.08481 0.07183 0.67365 1.00000
Tm4 Tm 0.58885 0.60182 0.67365 1.00000
Tm5 Tm 0.02004 0.52004 0.50000 1.00000
Tm6 Tm 0.47996 0.97996 0.50000 1.00000
Tm7 Tm 0.39818 0.41115 0.32635 1.00000
Tm8 Tm 0.92817 0.91519 0.32635 1.00000
Tm9 Tm 0.85182 0.33885 0.17365 1.00000
Tm10 Tm 0.32183 0.83480 0.17365 1.00000
Tm11 Tm 0.22996 0.22996 1.00000 1.00000
Tm12 Tm 0.77004 0.77004 0.00000 1.00000
Sb1 Sb 0.99813 0.49813 0.99627 1.00000
Sb2 Sb 0.41917 0.41917 0.83834 1.00000
Sb3 Sb 0.83083 0.33083 0.66166 1.00000
Sb4 Sb 0.25187 0.25187 0.50373 1.00000
Sb5 Sb 0.74813 0.74813 0.49627 1.00000
Sb6 Sb 0.66917 0.16917 0.33834 1.00000
Sb7 Sb 0.58083 0.58083 0.16166 1.00000
Sb8 Sb 0.50187 0.00187 0.00373 1.00000
S1 S 0.91668 0.91668 0.83337 1.00000
S2 S 0.33332 0.83332 0.66663 1.00000
S3 S 0.16668 0.66668 0.33337 1.00000
S4 S 0.08332 0.08332 0.16663 1.00000
