Tm3Bi2Se
Alexandria ALEXAlex-ID: agm005646853 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_36_spg70
Tm5Se6 Tm5Bi3 TmBi
2023-08-24 21:37:37.791775
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005646853).
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 agm005646853
data_agm005646853
_cell_length_a 7.45586
_cell_length_b 7.45586
_cell_length_c 13.57706
_cell_angle_alpha 100.53894
_cell_angle_beta 100.53894
_cell_angle_gamma 109.50369
_cell_volume 674.76502
_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 0.16573 0.67643 0.82749 1.00000
Tm2 Tm 0.66176 0.15106 0.82749 1.00000
Tm3 Tm 0.08427 0.07357 0.67251 1.00000
Tm4 Tm 0.58824 0.59894 0.67251 1.00000
Tm5 Tm 0.01645 0.51645 0.50000 1.00000
Tm6 Tm 0.48355 0.98355 0.50000 1.00000
Tm7 Tm 0.40106 0.41176 0.32749 1.00000
Tm8 Tm 0.92643 0.91573 0.32749 1.00000
Tm9 Tm 0.84894 0.33824 0.17251 1.00000
Tm10 Tm 0.32357 0.83427 0.17251 1.00000
Tm11 Tm 0.23355 0.23355 1.00000 1.00000
Tm12 Tm 0.76645 0.76645 0.00000 1.00000
Bi1 Bi 0.99832 0.49832 0.99665 1.00000
Bi2 Bi 0.41874 0.41874 0.83748 1.00000
Bi3 Bi 0.83126 0.33126 0.66252 1.00000
Bi4 Bi 0.25167 0.25167 0.50335 1.00000
Bi5 Bi 0.74833 0.74833 0.49665 1.00000
Bi6 Bi 0.66874 0.16874 0.33748 1.00000
Bi7 Bi 0.58126 0.58126 0.16252 1.00000
Bi8 Bi 0.50168 0.00168 0.00335 1.00000
Se1 Se 0.91673 0.91673 0.83345 1.00000
Se2 Se 0.33327 0.83327 0.66655 1.00000
Se3 Se 0.16673 0.66673 0.33345 1.00000
Se4 Se 0.08327 0.08327 0.16655 1.00000
