Tb2MgTe3
Alexandria ALEXAlex-ID: agm005854079 · Space group: R-3c (#167)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_670_spg167
Tb5Te6 MgTe Mg
2023-08-22 17:46:04.166100
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005854079).
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 agm005854079
data_agm005854079
_cell_length_a 7.78547
_cell_length_b 7.78547
_cell_length_c 8.23493
_cell_angle_alpha 61.78966
_cell_angle_beta 61.78966
_cell_angle_gamma 60.00000
_cell_volume 362.19884
_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
Tb1 Tb 0.16469 0.16469 0.50594 1.00000
Tb2 Tb 0.33531 0.33531 0.99406 1.00000
Tb3 Tb 0.83531 0.83531 0.49406 1.00000
Tb4 Tb 0.66469 0.66469 0.00594 1.00000
Mg1 Mg 0.50000 0.50000 0.50000 1.00000
Mg2 Mg 0.00000 0.00000 0.00000 1.00000
Te1 Te 0.91717 0.58283 0.25000 1.00000
Te2 Te 0.25000 0.91717 0.25000 1.00000
Te3 Te 0.75000 0.08283 0.75000 1.00000
Te4 Te 0.41717 0.75000 0.75000 1.00000
Te5 Te 0.08283 0.41717 0.75000 1.00000
Te6 Te 0.58283 0.25000 0.25000 1.00000
Get direct link