Ac5Pr2Y5
Alexandria ALEXAlex-ID: agm005663512 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_18_spg12
Pr2Y7 PrY2 Ac
2023-06-19 13:55:19.560153
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005663512).
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 agm005663512
data_agm005663512
_cell_length_a 5.32444
_cell_length_b 8.41041
_cell_length_c 11.34051
_cell_angle_alpha 72.92194
_cell_angle_beta 76.42293
_cell_angle_gamma 71.54638
_cell_volume 454.81719
_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 0.83797 0.82694 0.49711 1.00000
Ac2 Ac 0.25193 0.74184 0.75431 1.00000
Ac3 Ac 0.74807 0.25816 0.24569 1.00000
Ac4 Ac 0.16203 0.17306 0.50289 1.00000
Ac5 Ac 0.00000 0.00000 0.00000 1.00000
Pr1 Pr 0.91753 0.40936 0.75557 1.00000
Pr2 Pr 0.08247 0.59064 0.24443 1.00000
Y1 Y 0.50000 0.50000 0.50000 1.00000
Y2 Y 0.33208 0.33530 0.00054 1.00000
Y3 Y 0.42068 0.91091 0.24773 1.00000
Y4 Y 0.57932 0.08909 0.75227 1.00000
Y5 Y 0.66792 0.66470 0.99946 1.00000
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