Ta3Ni8
Alexandria ALEXAlex-ID: agm005536610 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B8_101_spg12
Ta2Ni TaNi3
2023-05-28 15:10:11.071428
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005536610).
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 agm005536610
data_agm005536610
_cell_length_a 6.47725
_cell_length_b 6.35732
_cell_length_c 4.53447
_cell_angle_alpha 83.54421
_cell_angle_beta 113.91629
_cell_angle_gamma 122.03422
_cell_volume 143.42397
_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 0.50000 1.00000 0.50000 1.00000
Ta2 Ta 1.00000 0.50000 0.50000 1.00000
Ta3 Ta 0.50000 0.50000 0.00000 1.00000
Ni1 Ni 0.75966 0.37978 0.87992 1.00000
Ni2 Ni 0.26530 0.98250 0.84528 1.00000
Ni3 Ni 0.00028 0.84387 0.19661 1.00000
Ni4 Ni 0.26485 0.28301 0.42016 1.00000
Ni5 Ni 0.73514 0.71699 0.57984 1.00000
Ni6 Ni 0.99972 0.15613 0.80340 1.00000
Ni7 Ni 0.73470 0.01751 0.15472 1.00000
Ni8 Ni 0.24034 0.62021 0.12008 1.00000
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