MnCr2
Alexandria ALEXAlex-ID: agm010130998 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_7768_spg15
MnCr15 Mn
2024-08-13 19:05:35.963118
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010130998).
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 agm010130998
data_agm010130998
_cell_length_a 4.69420
_cell_length_b 4.69420
_cell_length_c 4.00391
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 129.73029
_cell_volume 67.85312
_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 0.91040 0.08960 0.25000 1.00000
Mn2 Mn 0.08960 0.91040 0.75000 1.00000
Cr1 Cr 0.58198 0.41802 0.25000 1.00000
Cr2 Cr 0.41802 0.58198 0.75000 1.00000
Cr3 Cr 0.24687 0.75313 0.25000 1.00000
Cr4 Cr 0.75313 0.24687 0.75000 1.00000
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