Mn7(AlPd)2
Alexandria ALEXAlex-ID: agm011386471 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C7_248_spg12
AlPd Mn
2024-06-24 11:53:47.551617
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011386471).
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 agm011386471
data_agm011386471
_cell_length_a 4.63475
_cell_length_b 6.05676
_cell_length_c 6.19244
_cell_angle_alpha 108.34377
_cell_angle_beta 105.74415
_cell_angle_gamma 98.12722
_cell_volume 153.83777
_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
Mn1 Mn 0.08881 0.81988 0.35829 1.00000
Mn2 Mn 0.26571 0.45490 0.09132 1.00000
Mn3 Mn 0.91119 0.18012 0.64171 1.00000
Mn4 Mn 0.73429 0.54510 0.90868 1.00000
Mn5 Mn 0.35743 0.26803 0.45612 1.00000
Mn6 Mn 0.00000 0.00000 0.00000 1.00000
Mn7 Mn 0.64257 0.73197 0.54388 1.00000
Al1 Al 0.54703 0.90288 0.19221 1.00000
Al2 Al 0.45297 0.09712 0.80779 1.00000
Pd1 Pd 0.20043 0.65461 0.73610 1.00000
Pd2 Pd 0.79957 0.34539 0.26390 1.00000
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