Sc3(TlBi)4
Alexandria ALEXAlex-ID: agm009851702 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_236_spg1
Tl5Bi Tl2Bi ScBi
2024-04-06 14:57:27
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009851702).
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 agm009851702
data_agm009851702
_cell_length_a 4.24665
_cell_length_b 5.95241
_cell_length_c 13.91223
_cell_angle_alpha 100.70176
_cell_angle_beta 90.00379
_cell_angle_gamma 89.99072
_cell_volume 345.55391
_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
Sc1 Sc 0.77309 0.01702 0.25719 1.00000
Sc2 Sc 0.27293 0.03352 0.77555 1.00000
Sc3 Sc 0.77302 0.81602 0.96094 1.00000
Tl1 Tl 0.77226 0.43288 0.15957 1.00000
Tl2 Tl 0.27268 0.55185 0.80164 1.00000
Tl3 Tl 0.27233 0.21934 0.58752 1.00000
Tl4 Tl 0.77231 0.70940 0.41160 1.00000
Bi1 Bi 0.27300 0.85340 0.11028 1.00000
Bi2 Bi 0.77284 0.78174 0.64120 1.00000
Bi3 Bi 0.27286 0.29286 0.37631 1.00000
Bi4 Bi 0.77283 0.29183 0.91820 1.00000
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