MgSc4Tl
Alexandria ALEXAlex-ID: agm003736730 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_26_spg166
MgSc2 Sc2Tl
2022-04-18 16:30:59.538365
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003736730).
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 agm003736730
data_agm003736730
_cell_length_a 4.84499
_cell_length_b 4.85414
_cell_length_c 8.59502
_cell_angle_alpha 73.65791
_cell_angle_beta 73.62944
_cell_angle_gamma 60.06233
_cell_volume 165.64190
_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 0.50000 0.50000 1.00000
Sc1 Sc 0.62388 0.62365 0.12860 1.00000
Sc2 Sc 0.37612 0.37635 0.87140 1.00000
Sc3 Sc 0.12436 0.12352 0.62776 1.00000
Sc4 Sc 0.87564 0.87648 0.37224 1.00000
Tl1 Tl 0.00000 0.00000 0.00000 1.00000
Get direct link