Tb4ScIn
Alexandria ALEXAlex-ID: agm003736767 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_26_spg166
Sc3In Tb3In Tb
2022-04-19 00:06:19.375873
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003736767).
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 agm003736767
data_agm003736767
_cell_length_a 5.23009
_cell_length_b 5.22577
_cell_length_c 9.03851
_cell_angle_alpha 73.30025
_cell_angle_beta 73.18258
_cell_angle_gamma 59.97263
_cell_volume 201.67897
_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 0.62772 0.62813 0.11644 1.00000
Tb2 Tb 0.37228 0.37187 0.88356 1.00000
Tb3 Tb 0.12258 0.12363 0.63120 1.00000
Tb4 Tb 0.87742 0.87637 0.36880 1.00000
Sc1 Sc 0.00000 0.00000 0.00000 1.00000
In1 In 0.50000 0.50000 0.50000 1.00000
