Pr5Mg6Sc
Alexandria ALEXAlex-ID: agm006110189 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_47_spg65
PrMg3 PrMg Sc
2023-09-17 16:39:42.693443
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006110189).
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 agm006110189
data_agm006110189
_cell_length_a 5.44185
_cell_length_b 7.76038
_cell_length_c 8.63054
_cell_angle_alpha 89.99997
_cell_angle_beta 71.56435
_cell_angle_gamma 90.00021
_cell_volume 345.77003
_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 0.67098 0.50000 0.65873 1.00000
Pr2 Pr 0.33548 0.00000 0.32851 1.00000
Pr3 Pr 0.00000 0.50000 0.00000 1.00000
Pr4 Pr 0.66452 1.00000 0.67149 1.00000
Pr5 Pr 0.32902 0.50000 0.34127 1.00000
Sc1 Sc 0.00000 0.00000 0.00000 1.00000
Mg1 Mg 0.83887 0.75934 0.32184 1.00000
Mg2 Mg 0.83886 0.24067 0.32182 1.00000
Mg3 Mg 0.50001 0.23980 0.99999 1.00000
Mg4 Mg 0.49999 0.76020 0.00001 1.00000
Mg5 Mg 0.16114 0.75933 0.67818 1.00000
Mg6 Mg 0.16113 0.24066 0.67816 1.00000
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