Mn4Cr2Re3
Alexandria ALEXAlex-ID: agm005663014 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_365_spg12
MnCr15 Cr7Re6 Mn2Re
2023-06-26 22:13:37.260029
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005663014).
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 agm005663014
data_agm005663014
_cell_length_a 4.18783
_cell_length_b 4.90251
_cell_length_c 7.65522
_cell_angle_alpha 120.76372
_cell_angle_beta 89.99995
_cell_angle_gamma 115.28434
_cell_volume 117.18748
_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 0.66388 0.32776 0.99669 1.00000
Mn2 Mn 0.33612 0.67224 0.00331 1.00000
Mn3 Mn 0.99489 0.98978 0.66378 1.00000
Mn4 Mn 0.00511 0.01022 0.33622 1.00000
Cr1 Cr 0.66800 0.33600 0.33139 1.00000
Cr2 Cr 0.33200 0.66400 0.66861 1.00000
Re1 Re 0.66869 0.33739 0.66377 1.00000
Re2 Re 0.00000 0.00000 0.00000 1.00000
Re3 Re 0.33131 0.66261 0.33623 1.00000
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