Tc2Ni5Pt12
Alexandria ALEXAlex-ID: agm003368680 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C12_27_spg12
NiPt4 NiPt TcPt3
2022-02-07 08:46:44.511313
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003368680).
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 agm003368680
data_agm003368680
_cell_length_a 5.38081
_cell_length_b 7.62413
_cell_length_c 8.19793
_cell_angle_alpha 103.15812
_cell_angle_beta 90.00000
_cell_angle_gamma 110.66358
_cell_volume 305.22141
_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 0.70744 1.00000 1.00000 1.00000
Tc2 Tc 0.29256 0.00000 0.00000 1.00000
Ni1 Ni 0.30156 0.60312 0.62519 1.00000
Ni2 Ni 0.36332 0.72663 0.13753 1.00000
Ni3 Ni 0.00000 0.00000 0.50000 1.00000
Ni4 Ni 0.63668 0.27337 0.86247 1.00000
Ni5 Ni 0.69844 0.39688 0.37481 1.00000
Pt1 Pt 0.07429 0.14859 0.26123 1.00000
Pt2 Pt 0.04830 0.60409 0.88285 1.00000
Pt3 Pt 0.55578 0.60409 0.88285 1.00000
Pt4 Pt 0.10013 0.70076 0.39852 1.00000
Pt5 Pt 0.60063 0.70076 0.39852 1.00000
Pt6 Pt 0.48069 0.96139 0.66126 1.00000
Pt7 Pt 0.51931 0.03861 0.33874 1.00000
Pt8 Pt 0.89987 0.29924 0.60148 1.00000
Pt9 Pt 0.39937 0.29924 0.60148 1.00000
Pt10 Pt 0.95170 0.39591 0.11715 1.00000
Pt11 Pt 0.44422 0.39591 0.11715 1.00000
Pt12 Pt 0.92571 0.85141 0.73877 1.00000
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