Ti2MnCuSb2
Alexandria ALEXAlex-ID: agm012858596 · Space group: R3m (#160)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D2_124_spg1
TiMn2 TiSb2 Cu TiSb
2025-04-15 22:31:15
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012858596).
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
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# CIF generated by HEAS from Alexandria entry agm012858596
data_agm012858596
_cell_length_a 4.29941
_cell_length_b 4.29941
_cell_length_c 7.26531
_cell_angle_alpha 72.79269
_cell_angle_beta 107.20731
_cell_angle_gamma 120.00869
_cell_volume 109.30122
_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 0.63061 0.36939 0.89426 1.00000
Ti2 Ti 0.11579 0.88421 0.35038 1.00000
Mn1 Mn 0.00428 0.99572 0.01523 1.00000
Cu1 Cu 0.49804 0.50196 0.49744 1.00000
Sb1 Sb 0.87732 0.12268 0.63515 1.00000
Sb2 Sb 0.36836 0.63164 0.10753 1.00000
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