TePtBr
Alexandria ALEXAlex-ID: agm002201691 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_499_spg2
TePtBr
2018-06-27 04:43:12
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002201691).
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 agm002201691
data_agm002201691
_cell_length_a 4.25376
_cell_length_b 7.12687
_cell_length_c 7.03500
_cell_angle_alpha 112.77340
_cell_angle_beta 106.76648
_cell_angle_gamma 98.93844
_cell_volume 179.46756
_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 0.83930 0.51861 0.71158 1.00000
Te2 Te 0.16070 0.48139 0.28842 1.00000
Br1 Br 0.29685 0.09137 0.77555 1.00000
Br2 Br 0.70315 0.90863 0.22445 1.00000
Pt1 Pt 0.20607 0.28297 0.53004 1.00000
Pt2 Pt 0.79393 0.71703 0.46996 1.00000
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