MnCr3
Alexandria ALEXAlex-ID: agm008089136 · Space group: P4_2/n (#86)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3_281_spg86
MnCr15 Mn
2024-08-13 21:34:52.880422
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008089136).
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 agm008089136
data_agm008089136
_cell_length_a 8.94476
_cell_length_b 8.94476
_cell_length_c 4.74676
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 379.78236
_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 0.10693 0.20076 0.25654 1.00000
Mn2 Mn 0.89307 0.79924 0.25654 1.00000
Mn3 Mn 0.70076 0.39307 0.75654 1.00000
Mn4 Mn 0.29924 0.60693 0.75654 1.00000
Mn5 Mn 0.39307 0.29924 0.24346 1.00000
Mn6 Mn 0.60693 0.70076 0.24346 1.00000
Mn7 Mn 0.79924 0.10693 0.74346 1.00000
Mn8 Mn 0.20076 0.89307 0.74346 1.00000
Cr1 Cr 0.13970 0.70813 0.07176 1.00000
Cr2 Cr 0.86030 0.29187 0.07176 1.00000
Cr3 Cr 0.20813 0.36030 0.57176 1.00000
Cr4 Cr 0.79187 0.63970 0.57176 1.00000
Cr5 Cr 0.36030 0.79187 0.42824 1.00000
Cr6 Cr 0.63970 0.20813 0.42824 1.00000
Cr7 Cr 0.29187 0.13970 0.92824 1.00000
Cr8 Cr 0.70813 0.86030 0.92824 1.00000
Cr9 Cr 0.07702 0.61959 0.52661 1.00000
Cr10 Cr 0.92298 0.38041 0.52661 1.00000
Cr11 Cr 0.11959 0.42298 0.02661 1.00000
Cr12 Cr 0.88041 0.57702 0.02661 1.00000
Cr13 Cr 0.42298 0.88041 0.97339 1.00000
Cr14 Cr 0.57702 0.11959 0.97339 1.00000
Cr15 Cr 0.38041 0.07702 0.47339 1.00000
Cr16 Cr 0.61959 0.92298 0.47339 1.00000
Cr17 Cr 0.13475 0.94731 0.25191 1.00000
Cr18 Cr 0.86525 0.05269 0.25191 1.00000
Cr19 Cr 0.44731 0.36525 0.75191 1.00000
Cr20 Cr 0.55269 0.63475 0.75191 1.00000
Cr21 Cr 0.36525 0.55269 0.24809 1.00000
Cr22 Cr 0.63475 0.44731 0.24809 1.00000
Cr23 Cr 0.05269 0.13475 0.74809 1.00000
Cr24 Cr 0.94731 0.86525 0.74809 1.00000
