MgTl2Bi3
Alexandria ALEXAlex-ID: agm035688732 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_207_spg8
Tl2Bi MgTlBi Bi
2025-04-14 03:34:06
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm035688732).
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 agm035688732
data_agm035688732
_cell_length_a 3.44488
_cell_length_b 6.62935
_cell_length_c 9.05636
_cell_angle_alpha 105.21463
_cell_angle_beta 106.60683
_cell_angle_gamma 78.21657
_cell_volume 189.37275
_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
Mg1 Mg 0.50000 0.00000 0.50000 1.00000
Tl1 Tl 0.21794 0.74667 0.84834 1.00000
Tl2 Tl 0.78206 0.25333 0.15166 1.00000
Bi1 Bi 0.06021 0.24005 0.78026 1.00000
Bi2 Bi 0.93979 0.75995 0.21974 1.00000
Bi3 Bi 0.50000 0.50000 0.50000 1.00000
