Pr2Y2Mg5
Alexandria ALEXAlex-ID: agm009357628 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_487_spg12
PrYMg2 PrMg3 YMg
2024-04-22 17:48:32.723813
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009357628).
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 agm009357628
data_agm009357628
_cell_length_a 6.30466
_cell_length_b 6.30466
_cell_length_c 12.02583
_cell_angle_alpha 71.77434
_cell_angle_beta 71.77434
_cell_angle_gamma 34.12773
_cell_volume 253.42513
_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
Pr1 Pr 0.32218 0.32218 0.72564 1.00000
Pr2 Pr 0.67782 0.67782 0.27436 1.00000
Y1 Y 0.00900 0.00900 0.83562 1.00000
Y2 Y 0.99100 0.99100 0.16438 1.00000
Mg1 Mg 0.34611 0.34611 0.40506 1.00000
Mg2 Mg 0.65389 0.65389 0.59494 1.00000
Mg3 Mg 0.67167 0.67167 0.96175 1.00000
Mg4 Mg 0.32833 0.32833 0.03825 1.00000
Mg5 Mg 0.00000 0.00000 0.50000 1.00000
Get direct link