Pa5Mn6Re
Alexandria ALEXAlex-ID: agm006136236 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_55_spg71
PaMn Mn2Re PaRe2
2023-09-01 18:11:24.760922
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006136236).
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 agm006136236
data_agm006136236
_cell_length_a 4.15832
_cell_length_b 7.65395
_cell_length_c 8.47976
_cell_angle_alpha 63.18341
_cell_angle_beta 75.78635
_cell_angle_gamma 57.01620
_cell_volume 202.04321
_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
Re1 Re 0.00000 0.00000 0.00000 1.00000
Pa1 Pa 0.49960 0.17123 0.65796 1.00000
Pa2 Pa 0.99988 0.68931 0.62156 1.00000
Pa3 Pa 0.00012 0.31069 0.37844 1.00000
Pa4 Pa 0.50000 0.50000 0.00000 1.00000
Pa5 Pa 0.50040 0.82877 0.34204 1.00000
Mn1 Mn 0.72281 0.77730 0.00014 1.00000
Mn2 Mn 0.74829 0.12035 0.26324 1.00000
Mn3 Mn 0.25225 0.61609 0.26336 1.00000
Mn4 Mn 0.25171 0.87965 0.73676 1.00000
Mn5 Mn 0.74775 0.38391 0.73664 1.00000
Mn6 Mn 0.27719 0.22270 0.99986 1.00000
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