Tb3Tm5Sc2
Alexandria ALEXAlex-ID: agm003344752 · Space group: Ibam (#72)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C5_101_spg72
Tb5Tm4 TbTm5 Sc
2022-02-02 13:20:07.290786
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003344752).
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 agm003344752
data_agm003344752
_cell_length_a 6.16096
_cell_length_b 10.72727
_cell_length_c 10.72727
_cell_angle_alpha 98.31885
_cell_angle_beta 73.31181
_cell_angle_gamma 73.31177
_cell_volume 630.25651
_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 0.25000 0.00000 0.00000 1.00000
Tb2 Tb 0.75000 0.00000 0.00000 1.00000
Tb3 Tb 0.34288 0.40133 0.91290 1.00000
Tb4 Tb 0.65712 0.59867 0.08710 1.00000
Tb5 Tb 0.84288 0.91290 0.40133 1.00000
Tb6 Tb 0.15712 0.08710 0.59867 1.00000
Tm1 Tm 0.25000 0.50000 0.50000 1.00000
Tm2 Tm 0.75000 0.50000 0.50000 1.00000
Tm3 Tm 0.49962 0.75038 0.75038 1.00000
Tm4 Tm 0.00038 0.24962 0.24962 1.00000
Tm5 Tm 0.50038 0.24962 0.24962 1.00000
Tm6 Tm 0.99962 0.75038 0.75038 1.00000
Tm7 Tm 0.09810 0.56079 0.24302 1.00000
Tm8 Tm 0.90190 0.43921 0.75698 1.00000
Tm9 Tm 0.59810 0.24302 0.56079 1.00000
Tm10 Tm 0.40190 0.75698 0.43921 1.00000
Sc1 Sc 0.10147 0.74354 0.05352 1.00000
Sc2 Sc 0.89853 0.25646 0.94648 1.00000
Sc3 Sc 0.60147 0.05352 0.74354 1.00000
Sc4 Sc 0.39853 0.94648 0.25646 1.00000
