Tc2Ni2Au
Alexandria ALEXAlex-ID: agm005408024 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_582_spg139
Tc3Ni Ni Au
2023-03-17 18:36:48.456071
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005408024).
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 agm005408024
data_agm005408024
_cell_length_a 6.13872
_cell_length_b 6.13872
_cell_length_c 6.13872
_cell_angle_alpha 145.04817
_cell_angle_beta 145.04817
_cell_angle_gamma 50.26274
_cell_volume 75.54896
_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 0.60232 0.60232 0.00000 1.00000
Tc2 Tc 0.39768 0.39768 0.00000 1.00000
Ni1 Ni 0.25000 0.75000 0.50000 1.00000
Ni2 Ni 0.75000 0.25000 0.50000 1.00000
Au1 Au 0.00000 0.00000 0.00000 1.00000
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