Mn3PdPt2
Alexandria ALEXAlex-ID: agm014701304 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2251_spg2
Mn5PdPt4 Mn5Pd4Pt
2024-09-14 02:05:27.832224
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm014701304).
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 agm014701304
data_agm014701304
_cell_length_a 7.73185
_cell_length_b 7.73185
_cell_length_c 7.73185
_cell_angle_alpha 146.02499
_cell_angle_beta 134.53108
_cell_angle_gamma 57.95552
_cell_volume 182.62204
_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 0.33401 0.83360 0.50041 1.00000
Mn2 Mn 0.16681 0.16640 0.00041 1.00000
Mn3 Mn 0.00000 0.50000 0.50000 1.00000
Mn4 Mn 0.66599 0.16640 0.49959 1.00000
Mn5 Mn 0.50000 0.50000 0.00000 1.00000
Mn6 Mn 0.83319 0.83360 0.99959 1.00000
Pd1 Pd 0.91709 0.66709 0.25000 1.00000
Pd2 Pd 0.08291 0.33291 0.75000 1.00000
Pt1 Pt 0.58265 0.33265 0.25000 1.00000
Pt2 Pt 0.24978 0.99978 0.25000 1.00000
Pt3 Pt 0.41735 0.66735 0.75000 1.00000
Pt4 Pt 0.75022 0.00022 0.75000 1.00000
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