MnCr2
Alexandria ALEXAlex-ID: agm005463331 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_4_spg12
MnCr15 Mn
2023-03-20 15:40:47.954779
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005463331).
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 agm005463331
data_agm005463331
_cell_length_a 4.95330
_cell_length_b 4.95330
_cell_length_c 6.28632
_cell_angle_alpha 77.16421
_cell_angle_beta 77.16421
_cell_angle_gamma 27.62442
_cell_volume 69.61849
_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 0.93586 0.93586 0.63015 1.00000
Mn2 Mn 0.27145 0.27145 0.95480 1.00000
Cr1 Cr 0.00537 0.00537 0.98211 1.00000
Cr2 Cr 0.60368 0.60368 0.29277 1.00000
Cr3 Cr 0.34232 0.34232 0.31947 1.00000
Cr4 Cr 0.67466 0.67466 0.65404 1.00000
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