La6Pr8Ir
Alexandria ALEXAlex-ID: agm072961667 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_0_spg148
La3Pr5 La7Ir3 Pr
2024-10-06 15:24:20.183888
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072961667).
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 agm072961667
data_agm072961667
_cell_length_a 8.50557
_cell_length_b 8.50557
_cell_length_c 8.50557
_cell_angle_alpha 72.41176
_cell_angle_beta 72.41176
_cell_angle_gamma 72.41176
_cell_volume 543.88531
_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
La1 La 0.81528 0.53680 0.39844 1.00000
La2 La 0.53680 0.39844 0.81528 1.00000
La3 La 0.39844 0.81528 0.53680 1.00000
La4 La 0.18472 0.46320 0.60156 1.00000
La5 La 0.46320 0.60156 0.18472 1.00000
La6 La 0.60156 0.18472 0.46320 1.00000
Pr1 Pr 0.75040 0.75040 0.75040 1.00000
Pr2 Pr 0.24960 0.24960 0.24960 1.00000
Pr3 Pr 0.11486 0.66190 0.96129 1.00000
Pr4 Pr 0.66190 0.96129 0.11486 1.00000
Pr5 Pr 0.96129 0.11486 0.66190 1.00000
Pr6 Pr 0.88514 0.33810 0.03871 1.00000
Pr7 Pr 0.33810 0.03871 0.88514 1.00000
Pr8 Pr 0.03871 0.88514 0.33810 1.00000
Ir1 Ir 0.00000 0.00000 0.00000 1.00000
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