Mn2Sb3
Alexandria ALEXAlex-ID: agm005505593 · Space group: Fdd2 (#43)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3_10_spg43
MnSb Sb
2023-03-20 07:44:25.400815
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005505593).
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 agm005505593
data_agm005505593
_cell_length_a 7.84499
_cell_length_b 6.81529
_cell_length_c 6.44092
_cell_angle_alpha 72.50700
_cell_angle_beta 55.95196
_cell_angle_gamma 51.54104
_cell_volume 222.82843
_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 0.58666 0.15643 0.00162 1.00000
Mn2 Mn 0.25529 0.00162 0.15643 1.00000
Mn3 Mn 0.24838 0.99471 0.66334 1.00000
Mn4 Mn 0.09357 0.66334 0.99471 1.00000
Sb1 Sb 0.65507 0.72038 0.21770 1.00000
Sb2 Sb 0.40685 0.21770 0.72038 1.00000
Sb3 Sb 0.03230 0.84315 0.59493 1.00000
Sb4 Sb 0.52962 0.59493 0.84315 1.00000
Sb5 Sb 0.09614 0.40386 0.40386 1.00000
Sb6 Sb 0.84614 0.15386 0.15386 1.00000
Get direct link