Ta4Te16PtI8
Alexandria ALEXAlex-ID: agm005236440 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8D16_7_spg2
Ta4Te17I4 TaI5 Te2Pt Te
2023-05-12 21:48:30.701853
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005236440).
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 agm005236440
data_agm005236440
_cell_length_a 6.74518
_cell_length_b 11.09368
_cell_length_c 16.89758
_cell_angle_alpha 67.31742
_cell_angle_beta 79.87256
_cell_angle_gamma 78.82704
_cell_volume 1137.35555
_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
Ta1 Ta 0.47513 0.89606 0.80204 1.00000
Ta2 Ta 0.52487 0.10394 0.19796 1.00000
Ta3 Ta 0.97366 0.89627 0.79986 1.00000
Ta4 Ta 0.02634 0.10373 0.20014 1.00000
Te1 Te 0.30449 0.71678 0.75844 1.00000
Te2 Te 0.69551 0.28322 0.24156 1.00000
Te3 Te 0.66708 0.99590 0.90828 1.00000
Te4 Te 0.33292 0.00410 0.09172 1.00000
Te5 Te 0.26570 0.98590 0.65251 1.00000
Te6 Te 0.73430 0.01410 0.34749 1.00000
Te7 Te 0.76067 0.66966 0.88144 1.00000
Te8 Te 0.23933 0.33034 0.11856 1.00000
Te9 Te 0.69023 0.12160 0.71900 1.00000
Te10 Te 0.30977 0.87840 0.28100 1.00000
Te11 Te 0.18633 0.79828 0.95276 1.00000
Te12 Te 0.81367 0.20172 0.04724 1.00000
Te13 Te 0.15636 0.09367 0.82860 1.00000
Te14 Te 0.84364 0.90633 0.17140 1.00000
Te15 Te 0.20154 0.14942 0.32743 1.00000
Te16 Te 0.79846 0.85058 0.67257 1.00000
Pt1 Pt 0.00000 0.00000 0.00000 1.00000
I1 I 0.30232 0.39268 0.93567 1.00000
I2 I 0.69768 0.60732 0.06433 1.00000
I3 I 0.10617 0.42472 0.30533 1.00000
I4 I 0.89383 0.57528 0.69467 1.00000
I5 I 0.83202 0.69376 0.35571 1.00000
I6 I 0.16798 0.30624 0.64429 1.00000
I7 I 0.24650 0.82918 0.47356 1.00000
I8 I 0.75350 0.17082 0.52644 1.00000
