Tb3In3Cu2
Alexandria ALEXAlex-ID: agm009077611 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3_301_spg62
TbIn TbInCu
2024-06-24 11:24:06.222255
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009077611).
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 agm009077611
data_agm009077611
_cell_length_a 5.88686
_cell_length_b 8.16679
_cell_length_c 15.72278
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 755.89958
_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 0.11726 0.46799 0.88718 1.00000
Tb2 Tb 0.61726 0.03201 0.11282 1.00000
Tb3 Tb 0.88274 0.53201 0.38718 1.00000
Tb4 Tb 0.38274 0.96799 0.61282 1.00000
Tb5 Tb 0.88274 0.53201 0.11282 1.00000
Tb6 Tb 0.38274 0.96799 0.88718 1.00000
Tb7 Tb 0.11726 0.46799 0.61282 1.00000
Tb8 Tb 0.61726 0.03201 0.38718 1.00000
Tb9 Tb 0.63446 0.32639 0.75000 1.00000
Tb10 Tb 0.13446 0.17361 0.25000 1.00000
Tb11 Tb 0.36554 0.67361 0.25000 1.00000
Tb12 Tb 0.86554 0.82639 0.75000 1.00000
In1 In 0.12985 0.18320 0.75000 1.00000
In2 In 0.62985 0.31680 0.25000 1.00000
In3 In 0.87015 0.81680 0.25000 1.00000
In4 In 0.37015 0.68320 0.75000 1.00000
In5 In 0.60595 0.31318 0.96392 1.00000
In6 In 0.10595 0.18682 0.03608 1.00000
In7 In 0.39405 0.68682 0.46392 1.00000
In8 In 0.89405 0.81318 0.53608 1.00000
In9 In 0.39405 0.68682 0.03608 1.00000
In10 In 0.89405 0.81318 0.96392 1.00000
In11 In 0.60595 0.31318 0.53608 1.00000
In12 In 0.10595 0.18682 0.46392 1.00000
Cu1 Cu 0.87926 0.10136 0.88594 1.00000
Cu2 Cu 0.37926 0.39864 0.11406 1.00000
Cu3 Cu 0.12074 0.89864 0.38594 1.00000
Cu4 Cu 0.62074 0.60136 0.61406 1.00000
Cu5 Cu 0.12074 0.89864 0.11406 1.00000
Cu6 Cu 0.62074 0.60136 0.88594 1.00000
Cu7 Cu 0.87926 0.10136 0.61406 1.00000
Cu8 Cu 0.37926 0.39864 0.38594 1.00000
