Ti6Bi2N
Alexandria ALEXAlex-ID: agm005809456 · Space group: Fm-3m (#225)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_2_spg225
Ti2Bi Ti2N
2023-07-12 21:43:50.794336
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005809456).
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 agm005809456
data_agm005809456
_cell_length_a 5.98849
_cell_length_b 5.98849
_cell_length_c 5.99030
_cell_angle_alpha 59.99532
_cell_angle_beta 59.99531
_cell_angle_gamma 60.02083
_cell_volume 151.91704
_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 0.24790 0.24790 0.75178 1.00000
Ti2 Ti 0.24804 0.75206 0.24792 1.00000
Ti3 Ti 0.75196 0.24794 0.75208 1.00000
Ti4 Ti 0.75206 0.24804 0.24792 1.00000
Ti5 Ti 0.24794 0.75196 0.75208 1.00000
Ti6 Ti 0.75210 0.75210 0.24822 1.00000
Bi1 Bi 0.24998 0.24998 0.24986 1.00000
Bi2 Bi 0.75002 0.75002 0.75014 1.00000
N1 N 0.50000 0.50000 0.50000 1.00000
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