MnNiPt5
Alexandria ALEXAlex-ID: agm005759243 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC5_819_spg65
NiPt4 NiPt MnPt3
2023-07-14 13:23:54.829806
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005759243).
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 agm005759243
data_agm005759243
_cell_length_a 4.64377
_cell_length_b 4.64377
_cell_length_c 5.47236
_cell_angle_alpha 89.99966
_cell_angle_beta 90.00116
_cell_angle_gamma 107.37875
_cell_volume 112.62243
_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 0.50000 0.50000 0.50000 1.00000
Ni1 Ni 0.00000 0.00000 0.00000 1.00000
Pt1 Pt 0.49999 0.99999 0.23894 1.00000
Pt2 Pt 0.99998 0.50000 0.23894 1.00000
Pt3 Pt 0.00000 0.00000 0.50000 1.00000
Pt4 Pt 0.00002 0.50000 0.76106 1.00000
Pt5 Pt 0.50001 0.00001 0.76106 1.00000
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