Mn2NbPd3
Alexandria ALEXAlex-ID: agm040539085 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2588_spg12
Mn2Nb MnNbPd6 Mn
2025-04-14 03:36:15
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm040539085).
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 agm040539085
data_agm040539085
_cell_length_a 4.81841
_cell_length_b 4.81841
_cell_length_c 11.09215
_cell_angle_alpha 74.30377
_cell_angle_beta 105.69623
_cell_angle_gamma 131.67644
_cell_volume 183.70000
_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 0.00000 0.00000 0.50000 1.00000
Mn2 Mn 0.68250 0.31750 0.17035 1.00000
Mn3 Mn 0.31750 0.68250 0.82965 1.00000
Mn4 Mn 0.00000 0.00000 0.00000 1.00000
Nb1 Nb 0.65644 0.34356 0.66359 1.00000
Nb2 Nb 0.34356 0.65644 0.33641 1.00000
Pd1 Pd 0.67074 0.32926 0.41752 1.00000
Pd2 Pd 0.34181 0.65819 0.08096 1.00000
Pd3 Pd 0.99007 0.00993 0.75148 1.00000
Pd4 Pd 0.00993 0.99007 0.24852 1.00000
Pd5 Pd 0.65819 0.34181 0.91904 1.00000
Pd6 Pd 0.32926 0.67074 0.58248 1.00000
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