Mn(Cu3Pt)2
Alexandria ALEXAlex-ID: agm005671380 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_734_spg12
MnCuPt2 Cu
2023-07-08 18:12:34.810938
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005671380).
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 agm005671380
data_agm005671380
_cell_length_a 3.68078
_cell_length_b 6.00518
_cell_length_c 5.89592
_cell_angle_alpha 107.14515
_cell_angle_beta 108.18860
_cell_angle_gamma 90.00000
_cell_volume 117.69893
_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 0.00000 1.00000
Cu1 Cu 0.38328 0.82732 0.76656 1.00000
Cu2 Cu 0.61672 0.17268 0.23344 1.00000
Cu3 Cu 0.72575 0.83149 0.45150 1.00000
Cu4 Cu 0.17186 0.50109 0.34372 1.00000
Cu5 Cu 0.27425 0.16851 0.54850 1.00000
Cu6 Cu 0.82814 0.49891 0.65628 1.00000
Pt1 Pt 0.94414 0.17277 0.88828 1.00000
Pt2 Pt 0.05586 0.82723 0.11172 1.00000
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