TcPt2
Alexandria ALEXAlex-ID: agm005477612 · Space group: I4/mcm (#140)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_36_spg12
Tc3Pt4 TcPt3
2023-03-22 00:43:50.325032
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005477612).
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 agm005477612
data_agm005477612
_cell_length_a 5.08368
_cell_length_b 5.08368
_cell_length_c 5.08368
_cell_angle_alpha 103.49496
_cell_angle_beta 103.49496
_cell_angle_gamma 122.22735
_cell_volume 97.31286
_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 0.75000 0.75000 0.00000 1.00000
Tc2 Tc 0.25000 0.25000 0.00000 1.00000
Pt1 Pt 0.35421 0.85421 0.20842 1.00000
Pt2 Pt 0.85421 0.64579 0.50000 1.00000
Pt3 Pt 0.14579 0.35421 0.50000 1.00000
Pt4 Pt 0.64579 0.14579 0.79158 1.00000
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