Ac8La3Pr2
Alexandria ALEXAlex-ID: agm005607701 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C8_185_spg12
LaPr La2Pr Ac
2023-06-15 23:13:56.010473
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005607701).
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 agm005607701
data_agm005607701
_cell_length_a 6.68383
_cell_length_b 12.70465
_cell_length_c 9.51420
_cell_angle_alpha 131.88734
_cell_angle_beta 72.78651
_cell_angle_gamma 89.99999
_cell_volume 551.89044
_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 0.79483 0.44215 0.88431 1.00000
Ac2 Ac 0.20517 0.55785 0.11569 1.00000
Ac3 Ac 0.05956 0.85065 0.70129 1.00000
Ac4 Ac 0.94044 0.14935 0.29871 1.00000
Ac5 Ac 0.33407 0.91894 0.33672 1.00000
Ac6 Ac 0.33407 0.41778 0.33672 1.00000
Ac7 Ac 0.66593 0.58222 0.66328 1.00000
Ac8 Ac 0.66593 0.08106 0.66328 1.00000
La1 La 0.50000 0.00000 0.00000 1.00000
La2 La 1.00000 0.24839 1.00000 1.00000
La3 La 0.00000 0.75161 0.00000 1.00000
Pr1 Pr 0.64220 0.71051 0.42103 1.00000
Pr2 Pr 0.35780 0.28949 0.57897 1.00000
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