Mn2Pd4Rh5
Alexandria ALEXAlex-ID: agm012489262 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_217_spg12
Mn3Rh13 MnPd3 Rh
2024-06-24 11:46:22.549362
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012489262).
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 agm012489262
data_agm012489262
_cell_length_a 4.72801
_cell_length_b 4.75484
_cell_length_c 7.28004
_cell_angle_alpha 89.40197
_cell_angle_beta 95.95026
_cell_angle_gamma 100.05532
_cell_volume 160.27486
_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 0.04814 0.09346 0.69186 1.00000
Mn2 Mn 0.95186 0.90654 0.30814 1.00000
Pd1 Pd 0.22551 0.44846 0.40948 1.00000
Pd2 Pd 0.77449 0.55154 0.59052 1.00000
Pd3 Pd 0.31841 0.63895 0.77268 1.00000
Pd4 Pd 0.68159 0.36105 0.22732 1.00000
Rh1 Rh 0.86469 0.72823 0.95752 1.00000
Rh2 Rh 0.13531 0.27177 0.04248 1.00000
Rh3 Rh 0.50000 0.00000 0.50000 1.00000
Rh4 Rh 0.59485 0.17762 0.86560 1.00000
Rh5 Rh 0.40515 0.82238 0.13440 1.00000
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