Pr6MgIn5
Alexandria ALEXAlex-ID: agm006113595 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_47_spg65
Pr3MgIn2 PrIn
2023-09-01 00:37:09.640443
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006113595).
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 agm006113595
data_agm006113595
_cell_length_a 5.52872
_cell_length_b 7.78557
_cell_length_c 8.75489
_cell_angle_alpha 89.99990
_cell_angle_beta 71.59392
_cell_angle_gamma 89.99968
_cell_volume 357.56887
_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 0.83169 0.75160 0.33659 1.00000
Pr2 Pr 0.83172 0.24840 0.33659 1.00000
Pr3 Pr 0.49997 0.25287 0.00000 1.00000
Pr4 Pr 0.50003 0.74713 1.00000 1.00000
Pr5 Pr 0.16828 0.75160 0.66341 1.00000
Pr6 Pr 0.16831 0.24840 0.66341 1.00000
Mg1 Mg 0.00000 0.00000 0.00000 1.00000
In1 In 0.66640 0.50000 0.66720 1.00000
In2 In 0.33938 1.00000 0.32124 1.00000
In3 In 0.00000 0.50000 0.00000 1.00000
In4 In 0.66062 0.00000 0.67876 1.00000
In5 In 0.33360 0.50000 0.33280 1.00000
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