Pa6TePt8
Alexandria ALEXAlex-ID: agm072896271 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_565_spg2
Pa3Pt4 PaPt2 PaTe2
2024-10-08 12:41:22.034615
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072896271).
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 agm072896271
data_agm072896271
_cell_length_a 5.78065
_cell_length_b 7.98768
_cell_length_c 8.63092
_cell_angle_alpha 121.83788
_cell_angle_beta 97.59035
_cell_angle_gamma 101.41676
_cell_volume 318.19836
_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
Pa1 Pa 0.12856 0.33903 0.47035 1.00000
Pa2 Pa 0.72794 0.11187 0.75481 1.00000
Pa3 Pa 0.61906 0.62792 0.91506 1.00000
Pa4 Pa 0.87144 0.66097 0.52965 1.00000
Pa5 Pa 0.27206 0.88813 0.24519 1.00000
Pa6 Pa 0.38094 0.37208 0.08494 1.00000
Te1 Te 0.00000 0.00000 0.00000 1.00000
Pt1 Pt 0.64766 0.16544 0.18618 1.00000
Pt2 Pt 0.35234 0.83456 0.81382 1.00000
Pt3 Pt 0.37306 0.69757 0.44834 1.00000
Pt4 Pt 0.76887 0.87485 0.33999 1.00000
Pt5 Pt 0.90588 0.49692 0.14181 1.00000
Pt6 Pt 0.62694 0.30243 0.55166 1.00000
Pt7 Pt 0.23113 0.12515 0.66001 1.00000
Pt8 Pt 0.09412 0.50308 0.85819 1.00000
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