Mn2Cr5Mo2
Alexandria ALEXAlex-ID: agm009792872 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_485_spg2
MnCr15 Mo Mn2Mo
2024-03-25 02:17:45.978284
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009792872).
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 agm009792872
data_agm009792872
_cell_length_a 4.82951
_cell_length_b 4.82951
_cell_length_c 8.76935
_cell_angle_alpha 72.54173
_cell_angle_beta 72.54173
_cell_angle_gamma 35.28218
_cell_volume 112.13441
_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 0.00430 0.00430 0.15236 1.00000
Mn2 Mn 0.99570 0.99570 0.84764 1.00000
Cr1 Cr 0.33116 0.33116 0.73097 1.00000
Cr2 Cr 0.66884 0.66884 0.26903 1.00000
Cr3 Cr 0.32742 0.32742 0.05281 1.00000
Cr4 Cr 0.67258 0.67258 0.94719 1.00000
Cr5 Cr 0.00000 0.00000 0.50000 1.00000
Mo1 Mo 0.33999 0.33999 0.37869 1.00000
Mo2 Mo 0.66001 0.66001 0.62131 1.00000
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