AcPr4Y
Alexandria ALEXAlex-ID: agm069602468 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_645_spg2
PrY2 Ac Pr
2025-04-15 23:10:33
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm069602468).
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 agm069602468
data_agm069602468
_cell_length_a 6.44625
_cell_length_b 6.44625
_cell_length_c 10.56302
_cell_angle_alpha 66.11312
_cell_angle_beta 113.88688
_cell_angle_gamma 146.18134
_cell_volume 221.33923
_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 0.00000 0.00000 0.00000 1.00000
Pr1 Pr 0.33403 0.66597 0.17432 1.00000
Pr2 Pr 0.66597 0.33403 0.82568 1.00000
Pr3 Pr 0.33347 0.66653 0.66039 1.00000
Pr4 Pr 0.66653 0.33347 0.33961 1.00000
Y1 Y 0.00000 0.00000 0.50000 1.00000
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