U3Mn7Os2
Alexandria ALEXAlex-ID: agm024376472 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_54_spg12
UMn UMnOs Mn
2025-05-17 03:02:45
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024376472).
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 agm024376472
data_agm024376472
_cell_length_a 4.74123
_cell_length_b 4.87747
_cell_length_c 8.99555
_cell_angle_alpha 76.89369
_cell_angle_beta 75.93804
_cell_angle_gamma 65.31604
_cell_volume 181.48950
_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
U1 U 0.00000 0.00000 0.00000 1.00000
U2 U 0.16163 0.11947 0.56262 1.00000
U3 U 0.83837 0.88053 0.43738 1.00000
Mn1 Mn 0.50000 0.50000 0.50000 1.00000
Mn2 Mn 0.08240 0.56748 0.74280 1.00000
Mn3 Mn 0.58949 0.56097 0.75219 1.00000
Mn4 Mn 0.58691 0.07157 0.74102 1.00000
Mn5 Mn 0.91760 0.43252 0.25720 1.00000
Mn6 Mn 0.41309 0.92843 0.25898 1.00000
Mn7 Mn 0.41051 0.43903 0.24781 1.00000
Os1 Os 0.31480 0.30806 0.00014 1.00000
Os2 Os 0.68520 0.69194 0.99986 1.00000
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