Ta2Ti8Nb
Alexandria ALEXAlex-ID: agm014941248 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_891_spg164
Ta2Nb Ti
2024-10-22 04:11:19.805144
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm014941248).
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 agm014941248
data_agm014941248
_cell_length_a 5.40607
_cell_length_b 5.37838
_cell_length_c 7.25377
_cell_angle_alpha 111.22819
_cell_angle_beta 101.88932
_cell_angle_gamma 83.79686
_cell_volume 192.25152
_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
Ta1 Ta 0.91273 0.54107 0.18148 1.00000
Ta2 Ta 0.08727 0.45893 0.81852 1.00000
Ti1 Ti 0.80906 0.09304 0.38289 1.00000
Ti2 Ti 0.72389 0.65331 0.53171 1.00000
Ti3 Ti 0.64217 0.18870 0.76462 1.00000
Ti4 Ti 0.35783 0.81130 0.23538 1.00000
Ti5 Ti 0.27611 0.34669 0.46829 1.00000
Ti6 Ti 0.19094 0.90696 0.61711 1.00000
Ti7 Ti 0.55970 0.72662 0.88975 1.00000
Ti8 Ti 0.44030 0.27338 0.11025 1.00000
Nb1 Nb 0.00000 0.00000 0.00000 1.00000
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