Pr3HoMg3
Alexandria ALEXAlex-ID: agm005993290 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_294_spg65
Ho PrMg
2023-08-07 20:39:19.430171
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005993290).
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 agm005993290
data_agm005993290
_cell_length_a 7.87852
_cell_length_b 7.87852
_cell_length_c 7.15567
_cell_angle_alpha 89.99911
_cell_angle_beta 89.99910
_cell_angle_gamma 92.79252
_cell_volume 443.63280
_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 1.00000 1.00000 0.75337 1.00000
Pr2 Pr 0.50000 0.00000 0.25421 1.00000
Pr3 Pr 0.00000 0.50000 0.25421 1.00000
Pr4 Pr 0.50000 1.00000 0.74579 1.00000
Pr5 Pr 1.00000 0.50000 0.74579 1.00000
Pr6 Pr 0.00000 0.00000 0.24663 1.00000
Ho1 Ho 0.31247 0.31247 1.00000 1.00000
Ho2 Ho 0.68753 0.68753 0.00000 1.00000
Mg1 Mg 0.28052 0.28052 0.50000 1.00000
Mg2 Mg 0.32166 0.67834 0.50000 1.00000
Mg3 Mg 0.67834 0.32166 0.50000 1.00000
Mg4 Mg 0.25868 0.74132 0.00000 1.00000
Mg5 Mg 0.74132 0.25868 1.00000 1.00000
Mg6 Mg 0.71948 0.71948 0.50000 1.00000
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