Mn5Cr12Os
Alexandria ALEXAlex-ID: agm063672150 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C12_101_spg12
MnCr15 Mn24Os5 MnOs
2024-10-15 10:45:37.240187
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm063672150).
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 agm063672150
data_agm063672150
_cell_length_a 4.72928
_cell_length_b 6.39679
_cell_length_c 7.34950
_cell_angle_alpha 104.25560
_cell_angle_beta 100.36751
_cell_angle_gamma 98.33509
_cell_volume 207.75432
_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 0.00000 0.50000 0.00000 1.00000
Mn2 Mn 0.66813 0.15943 0.32980 1.00000
Mn3 Mn 0.33187 0.84057 0.67020 1.00000
Mn4 Mn 0.16549 0.16779 0.83432 1.00000
Mn5 Mn 0.83451 0.83221 0.16568 1.00000
Cr1 Cr 0.01064 0.49610 0.66920 1.00000
Cr2 Cr 0.98936 0.50390 0.33080 1.00000
Cr3 Cr 0.50105 0.50427 0.84157 1.00000
Cr4 Cr 0.49895 0.49573 0.15843 1.00000
Cr5 Cr 0.16281 0.16814 0.16622 1.00000
Cr6 Cr 0.16351 0.15707 0.49735 1.00000
Cr7 Cr 0.83649 0.84293 0.50265 1.00000
Cr8 Cr 0.83719 0.83186 0.83378 1.00000
Cr9 Cr 0.33043 0.83800 0.00181 1.00000
Cr10 Cr 0.66603 0.16983 0.67006 1.00000
Cr11 Cr 0.33397 0.83017 0.32994 1.00000
Cr12 Cr 0.66957 0.16200 0.99819 1.00000
Os1 Os 0.50000 0.50000 0.50000 1.00000
Get direct link