Bi3Te2Pt
Alexandria ALEXAlex-ID: agm005755567 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_5_spg15
BiTePt Bi2Te3 Bi2Pt
2023-08-25 05:56:10.534447
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005755567).
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 agm005755567
data_agm005755567
_cell_length_a 7.50543
_cell_length_b 7.50545
_cell_length_c 7.80345
_cell_angle_alpha 99.16426
_cell_angle_beta 99.16450
_cell_angle_gamma 119.66581
_cell_volume 362.27247
_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
Bi1 Bi 0.63571 0.96906 0.79899 1.00000
Bi2 Bi 0.03094 0.36428 0.20101 1.00000
Bi3 Bi 0.88895 0.59468 0.78452 1.00000
Bi4 Bi 0.26133 0.22227 0.78451 1.00000
Bi5 Bi 0.40532 0.11106 0.21548 1.00000
Bi6 Bi 0.77773 0.73867 0.21549 1.00000
Te1 Te 0.83336 0.16664 0.50000 1.00000
Te2 Te 0.33333 0.66667 0.00000 1.00000
Te3 Te 0.17532 0.82468 0.50000 1.00000
Te4 Te 0.49137 0.50863 0.50000 1.00000
Pt1 Pt 0.00105 0.99895 1.00000 1.00000
Pt2 Pt 0.66561 0.33439 0.00000 1.00000
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