Tm5Bi4S
Alexandria ALEXAlex-ID: agm003660126 · Space group: I4 (#79)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_3_spg79
TmBi TmS
2022-04-08 04:40:19.759344
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003660126).
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 agm003660126
data_agm003660126
_cell_length_a 6.17261
_cell_length_b 7.48406
_cell_length_c 7.48406
_cell_angle_alpha 80.20866
_cell_angle_beta 65.64531
_cell_angle_gamma 65.64531
_cell_volume 286.93891
_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 0.90307 0.37774 0.82059 1.00000
Tm2 Tm 0.28080 0.82059 0.62226 1.00000
Tm3 Tm 0.72366 0.17941 0.37774 1.00000
Tm4 Tm 0.10140 0.62226 0.17941 1.00000
Tm5 Tm 0.48001 1.00000 0.00000 1.00000
Bi1 Bi 0.41096 0.39548 0.78722 1.00000
Bi2 Bi 0.80644 0.78722 0.60452 1.00000
Bi3 Bi 0.19818 0.21278 0.39548 1.00000
Bi4 Bi 0.59366 0.60452 0.21278 1.00000
S1 S 0.01211 0.00000 1.00000 1.00000
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