Tm3BS2
Alexandria ALEXAlex-ID: agm005756388 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_36_spg70
Tm6BS5 TmB2 Tm
2023-08-07 05:22:02.029691
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005756388).
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 agm005756388
data_agm005756388
_cell_length_a 6.64433
_cell_length_b 6.64433
_cell_length_c 12.02604
_cell_angle_alpha 100.70302
_cell_angle_beta 100.70302
_cell_angle_gamma 109.12988
_cell_volume 475.16663
_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 0.16091 0.68568 0.82377 1.00000
Tm2 Tm 0.66286 0.13809 0.82377 1.00000
Tm3 Tm 0.08909 0.06432 0.67623 1.00000
Tm4 Tm 0.58714 0.61191 0.67623 1.00000
Tm5 Tm 0.02601 0.52601 0.50000 1.00000
Tm6 Tm 0.47399 0.97399 0.50000 1.00000
Tm7 Tm 0.38809 0.41286 0.32377 1.00000
Tm8 Tm 0.93568 0.91091 0.32377 1.00000
Tm9 Tm 0.86191 0.33714 0.17623 1.00000
Tm10 Tm 0.31432 0.83909 0.17623 1.00000
Tm11 Tm 0.22399 0.22399 0.00000 1.00000
Tm12 Tm 0.77601 0.77601 1.00000 1.00000
B1 B 0.91627 0.91627 0.83255 1.00000
B2 B 0.33373 0.83373 0.66745 1.00000
B3 B 0.16627 0.66627 0.33255 1.00000
B4 B 0.08373 0.08373 0.16745 1.00000
S1 S 0.99688 0.49688 0.99376 1.00000
S2 S 0.41981 0.41981 0.83962 1.00000
S3 S 0.83019 0.33019 0.66038 1.00000
S4 S 0.25312 0.25312 0.50624 1.00000
S5 S 0.74688 0.74688 0.49376 1.00000
S6 S 0.66981 0.16981 0.33962 1.00000
S7 S 0.58019 0.58019 0.16038 1.00000
S8 S 0.50312 0.00312 0.00624 1.00000
