Te3Pt2
Alexandria ALEXAlex-ID: agm005507794 · Space group: Fdd2 (#43)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3_572_spg43
Te3Pt2
2023-03-20 13:22:10.296564
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005507794).
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
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# CIF generated by HEAS from Alexandria entry agm005507794
data_agm005507794
_cell_length_a 8.74245
_cell_length_b 7.28395
_cell_length_c 6.88719
_cell_angle_alpha 76.12573
_cell_angle_beta 53.98485
_cell_angle_gamma 49.88942
_cell_volume 264.36849
_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
Te1 Te 0.34064 0.31244 0.73784 1.00000
Te2 Te 0.60908 0.73784 0.31244 1.00000
Te3 Te 0.93756 0.90936 0.64092 1.00000
Te4 Te 0.51216 0.64092 0.90936 1.00000
Te5 Te 0.88205 0.11795 0.11795 1.00000
Te6 Te 0.13205 0.36795 0.36795 1.00000
Pt1 Pt 0.40104 0.49699 0.33478 1.00000
Pt2 Pt 0.76719 0.33478 0.49699 1.00000
Pt3 Pt 0.75301 0.84896 0.48281 1.00000
Pt4 Pt 0.91522 0.48281 0.84896 1.00000
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