Ac12LaPr6
Alexandria ALEXAlex-ID: agm006117551 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C12_25_spg166
La3Pr5 Ac Pr
2023-08-25 22:42:49.116869
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006117551).
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 agm006117551
data_agm006117551
_cell_length_a 9.49658
_cell_length_b 9.49658
_cell_length_c 9.49658
_cell_angle_alpha 98.20481
_cell_angle_beta 98.20482
_cell_angle_gamma 98.20482
_cell_volume 827.29960
_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
Ac1 Ac 0.58722 0.17115 0.58718 1.00000
Ac2 Ac 0.17115 0.58718 0.58722 1.00000
Ac3 Ac 0.58718 0.58722 0.17115 1.00000
Ac4 Ac 0.41278 0.82885 0.41282 1.00000
Ac5 Ac 0.82885 0.41282 0.41278 1.00000
Ac6 Ac 0.41282 0.41278 0.82885 1.00000
Ac7 Ac 0.26265 0.00006 0.73734 1.00000
Ac8 Ac 0.26266 0.73735 0.99994 1.00000
Ac9 Ac 0.99994 0.26266 0.73735 1.00000
Ac10 Ac 0.73735 0.99994 0.26266 1.00000
Ac11 Ac 0.73734 0.26265 0.00006 1.00000
Ac12 Ac 0.00006 0.73734 0.26265 1.00000
La1 La 0.00000 0.00000 0.00000 1.00000
Pr1 Pr 0.14029 0.14040 0.40299 1.00000
Pr2 Pr 0.85960 0.59701 0.85971 1.00000
Pr3 Pr 0.59701 0.85971 0.85960 1.00000
Pr4 Pr 0.85971 0.85960 0.59701 1.00000
Pr5 Pr 0.14040 0.40299 0.14029 1.00000
Pr6 Pr 0.40299 0.14029 0.14040 1.00000
Get direct link