Ti6Be8Ni
Alexandria ALEXAlex-ID: agm072376124 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_616_spg1
Ti6Be15Ni8 TiBe2 Ti
2024-10-05 11:37:03.513114
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072376124).
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 agm072376124
data_agm072376124
_cell_length_a 5.06210
_cell_length_b 6.35584
_cell_length_c 6.31132
_cell_angle_alpha 67.62562
_cell_angle_beta 74.21462
_cell_angle_gamma 76.75616
_cell_volume 178.88400
_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 0.83710 0.68357 0.78756 1.00000
Ti2 Ti 0.28169 0.42892 0.55842 1.00000
Ti3 Ti 0.12102 0.21295 0.03839 1.00000
Ti4 Ti 0.22081 0.02301 0.50971 1.00000
Ti5 Ti 0.75227 0.27423 0.74778 1.00000
Ti6 Ti 0.92587 0.49864 0.26344 1.00000
Be1 Be 0.33070 0.61713 0.85177 1.00000
Be2 Be 0.72065 0.08974 0.43999 1.00000
Be3 Be 0.45635 0.98849 0.81828 1.00000
Be4 Be 0.40195 0.71906 0.15167 1.00000
Be5 Be 0.99711 0.82494 0.33643 1.00000
Be6 Be 0.59088 0.70800 0.48919 1.00000
Be7 Be 0.52175 0.35226 0.15090 1.00000
Be8 Be 0.05210 0.88295 0.95729 1.00000
Ni1 Ni 0.63793 0.97760 0.14419 1.00000
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