Mn2Cu2Pt7
Alexandria ALEXAlex-ID: agm003322201 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C7_245_spg65
CuPt MnCuPt2 MnPt3
2022-01-26 06:32:42.274948
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003322201).
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 agm003322201
data_agm003322201
_cell_length_a 5.26686
_cell_length_b 7.08645
_cell_length_c 5.26686
_cell_angle_alpha 89.99762
_cell_angle_beta 119.89449
_cell_angle_gamma 90.00238
_cell_volume 170.42109
_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 0.81595 0.50000 0.81595 1.00000
Mn2 Mn 0.18405 0.50000 0.18405 1.00000
Cu1 Cu 0.72556 0.00002 0.27444 1.00000
Cu2 Cu 0.27444 0.99998 0.72556 1.00000
Pt1 Pt 0.99996 0.31207 0.50005 1.00000
Pt2 Pt 0.50005 0.68793 0.99996 1.00000
Pt3 Pt 0.00004 0.68793 0.49995 1.00000
Pt4 Pt 0.49995 0.31207 0.00004 1.00000
Pt5 Pt 0.00000 0.00000 0.00000 1.00000
Pt6 Pt 0.50004 0.78407 0.49996 1.00000
Pt7 Pt 0.49996 0.21593 0.50004 1.00000
Get direct link