Ta3Ni2Pt3
Alexandria ALEXAlex-ID: agm005579639 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3_15_spg12
TaNiPt TaPt
2023-06-06 00:49:44.674730
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005579639).
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 agm005579639
data_agm005579639
_cell_length_a 4.00113
_cell_length_b 3.97221
_cell_length_c 8.13535
_cell_angle_alpha 104.16970
_cell_angle_beta 104.23560
_cell_angle_gamma 90.00000
_cell_volume 121.26482
_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 0.86165 0.36171 0.72331 1.00000
Ta2 Ta 0.13835 0.63829 0.27669 1.00000
Ta3 Ta 0.00000 0.00000 0.00000 1.00000
Ni1 Ni 0.74953 0.74908 0.49906 1.00000
Ni2 Ni 0.25047 0.25092 0.50094 1.00000
Pt1 Pt 0.36951 0.86986 0.73902 1.00000
Pt2 Pt 0.50000 0.50000 0.00000 1.00000
Pt3 Pt 0.63049 0.13014 0.26098 1.00000
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