Tb3Er2In
Alexandria ALEXAlex-ID: agm003408601 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_853_spg15
TbEr2 Tb2In
2022-02-13 12:50:24.510924
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003408601).
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 agm003408601
data_agm003408601
_cell_length_a 6.89591
_cell_length_b 6.23903
_cell_length_c 9.24547
_cell_angle_alpha 101.90207
_cell_angle_beta 111.89670
_cell_angle_gamma 90.00000
_cell_volume 359.84555
_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 0.87424 0.25000 0.00000 1.00000
Tb2 Tb 0.12576 0.75000 1.00000 1.00000
Tb3 Tb 0.04526 0.02521 0.33909 1.00000
Tb4 Tb 0.70617 0.47479 0.66091 1.00000
Tb5 Tb 0.29383 0.52521 0.33909 1.00000
Tb6 Tb 0.95474 0.97479 0.66091 1.00000
Er1 Er 0.77968 0.54006 0.32054 1.00000
Er2 Er 0.54085 0.04006 0.32054 1.00000
Er3 Er 0.45915 0.95994 0.67946 1.00000
Er4 Er 0.22032 0.45994 0.67946 1.00000
In1 In 0.63443 0.75000 1.00000 1.00000
In2 In 0.36557 0.25000 0.00000 1.00000
Get direct link