TcNi2Pt
Alexandria ALEXAlex-ID: agm005708402 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_9001_spg74
Ni3Pt Tc3Pt
2023-07-13 00:23:02.622928
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005708402).
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 agm005708402
data_agm005708402
_cell_length_a 2.66712
_cell_length_b 5.77123
_cell_length_c 7.10122
_cell_angle_alpha 88.98476
_cell_angle_beta 79.17596
_cell_angle_gamma 76.63989
_cell_volume 104.41816
_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 0.11780 0.93779 0.82661 1.00000
Tc2 Tc 0.88220 0.06226 0.17334 1.00000
Ni1 Ni 0.63051 0.68058 0.05839 1.00000
Ni2 Ni 0.36949 0.31947 0.94156 1.00000
Ni3 Ni 0.86169 0.57140 0.70523 1.00000
Ni4 Ni 0.13831 0.42865 0.29473 1.00000
Pt1 Pt 0.38788 0.79327 0.43098 1.00000
Pt2 Pt 0.61212 0.20678 0.56897 1.00000
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