Zr3Ti2Mn3
Alexandria ALEXAlex-ID: agm009071789 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3_125_spg71
Ti21Mn25 TiMn2 Zr
2024-03-18 22:53:43
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009071789).
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 agm009071789
data_agm009071789
_cell_length_a 9.48459
_cell_length_b 9.48459
_cell_length_c 9.48459
_cell_angle_alpha 160.79663
_cell_angle_beta 151.85766
_cell_angle_gamma 34.29620
_cell_volume 132.24834
_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
Zr1 Zr 0.37919 0.37919 0.00000 1.00000
Zr2 Zr 0.62081 0.62081 0.00000 1.00000
Zr3 Zr 0.00000 0.50000 0.50000 1.00000
Ti1 Ti 0.76810 0.26810 0.50000 1.00000
Ti2 Ti 0.23190 0.73190 0.50000 1.00000
Mn1 Mn 0.87148 0.87148 0.00000 1.00000
Mn2 Mn 0.50000 0.00000 0.50000 1.00000
Mn3 Mn 0.12852 0.12852 0.00000 1.00000
Get direct link