Ti4MnNb
Alexandria ALEXAlex-ID: agm005750411 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1200_spg15
Ti3Mn Ti TiNb7
2023-07-31 14:15:28.794095
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005750411).
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 agm005750411
data_agm005750411
_cell_length_a 6.15738
_cell_length_b 4.68643
_cell_length_c 8.56283
_cell_angle_alpha 93.96946
_cell_angle_beta 101.76820
_cell_angle_gamma 124.65144
_cell_volume 193.65737
_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
Ti1 Ti 0.96295 0.20205 0.91781 1.00000
Ti2 Ti 0.45485 0.71576 0.91781 1.00000
Ti3 Ti 0.27466 0.60753 0.58586 1.00000
Ti4 Ti 0.72534 0.39247 0.41414 1.00000
Ti5 Ti 0.18878 0.02165 0.41413 1.00000
Ti6 Ti 0.54515 0.28424 0.08219 1.00000
Ti7 Ti 0.81122 0.97835 0.58587 1.00000
Ti8 Ti 0.03705 0.79795 0.08219 1.00000
Mn1 Mn 0.12795 0.87795 0.75589 1.00000
Mn2 Mn 0.87205 0.12205 0.24411 1.00000
Nb1 Nb 0.37405 0.62405 0.24810 1.00000
Nb2 Nb 0.62595 0.37595 0.75190 1.00000
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