Tb3Pr8Mg
Alexandria ALEXAlex-ID: agm006012483 · Space group: I-42m (#121)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C8_331_spg121
Tb5Pr3 PrMg Pr
2023-09-08 11:02:51.981619
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006012483).
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 agm006012483
data_agm006012483
_cell_length_a 8.50538
_cell_length_b 8.50538
_cell_length_c 8.50538
_cell_angle_alpha 93.49566
_cell_angle_beta 118.00272
_cell_angle_gamma 118.00272
_cell_volume 447.31054
_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 0.50000 0.75000 0.25000 1.00000
Tb2 Tb 0.50000 0.25000 0.75000 1.00000
Tb3 Tb 0.00000 0.50000 0.50000 1.00000
Pr1 Pr 0.50070 0.25771 0.25771 1.00000
Pr2 Pr 0.49930 0.75702 0.75702 1.00000
Pr3 Pr 0.00000 0.74229 0.24298 1.00000
Pr4 Pr 1.00000 0.24298 0.74229 1.00000
Pr5 Pr 0.25468 0.37837 0.37837 1.00000
Pr6 Pr 0.74532 0.12369 0.12369 1.00000
Pr7 Pr 1.00000 0.62163 0.87631 1.00000
Pr8 Pr 1.00000 0.87631 0.62163 1.00000
Mg1 Mg 0.00000 0.00000 0.00000 1.00000
Get direct link