TcNi3Pt2
Alexandria ALEXAlex-ID: agm005772777 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2085_spg62
Ni3Pt NiPt Tc3Pt
2023-08-23 11:05:20.026573
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005772777).
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 agm005772777
data_agm005772777
_cell_length_a 2.66942
_cell_length_b 8.17103
_cell_length_c 14.70569
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 320.75950
_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
Tc1 Tc 0.25000 0.29767 0.65927 1.00000
Tc2 Tc 0.75000 0.70233 0.34073 1.00000
Tc3 Tc 0.75000 0.20233 0.15927 1.00000
Tc4 Tc 0.25000 0.79767 0.84073 1.00000
Ni1 Ni 0.25000 0.24975 0.82648 1.00000
Ni2 Ni 0.75000 0.75025 0.17352 1.00000
Ni3 Ni 0.75000 0.25025 0.32648 1.00000
Ni4 Ni 0.25000 0.74975 0.67352 1.00000
Ni5 Ni 0.75000 0.03089 0.91507 1.00000
Ni6 Ni 0.25000 0.96911 0.08493 1.00000
Ni7 Ni 0.25000 0.46911 0.41507 1.00000
Ni8 Ni 0.75000 0.53089 0.58493 1.00000
Ni9 Ni 0.25000 0.01631 0.57982 1.00000
Ni10 Ni 0.75000 0.98369 0.42018 1.00000
Ni11 Ni 0.75000 0.48369 0.07982 1.00000
Ni12 Ni 0.25000 0.51631 0.92018 1.00000
Pt1 Pt 0.25000 0.24990 0.00337 1.00000
Pt2 Pt 0.75000 0.75010 0.99663 1.00000
Pt3 Pt 0.75000 0.25010 0.50337 1.00000
Pt4 Pt 0.25000 0.74990 0.49663 1.00000
Pt5 Pt 0.75000 0.01682 0.73374 1.00000
Pt6 Pt 0.25000 0.98318 0.26626 1.00000
Pt7 Pt 0.25000 0.48318 0.23374 1.00000
Pt8 Pt 0.75000 0.51682 0.76626 1.00000
