Tm6Bi5Se
Alexandria ALEXAlex-ID: agm006123254 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_83_spg12
Tm5Se6 Tm5Bi3 TmBi
2023-09-07 17:48:07.299188
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006123254).
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 agm006123254
data_agm006123254
_cell_length_a 7.56705
_cell_length_b 7.57534
_cell_length_c 7.56162
_cell_angle_alpha 59.93999
_cell_angle_beta 80.37935
_cell_angle_gamma 70.50996
_cell_volume 353.65866
_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 0.75741 0.08035 0.32287 1.00000
Tm2 Tm 0.24259 0.59679 0.32287 1.00000
Tm3 Tm 0.25087 0.23931 0.00000 1.00000
Tm4 Tm 0.74913 0.76069 1.00000 1.00000
Tm5 Tm 0.75741 0.40321 0.67713 1.00000
Tm6 Tm 0.24259 0.91965 0.67713 1.00000
Bi1 Bi 0.50000 0.17158 0.65684 1.00000
Bi2 Bi 1.00000 0.33462 0.33077 1.00000
Bi3 Bi 0.50000 0.50000 0.00000 1.00000
Bi4 Bi 0.00000 0.66538 0.66923 1.00000
Bi5 Bi 0.50000 0.82842 0.34316 1.00000
Se1 Se 0.00000 0.00000 0.00000 1.00000
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