Al2Te2Cl7
Alexandria ALEXAlex-ID: agm005279868 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C7_1821_spg2
Al2Te2Cl7
2024-10-20 14:57:21
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005279868).
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 agm005279868
data_agm005279868
_cell_length_a 7.30788
_cell_length_b 12.08042
_cell_length_c 13.59637
_cell_angle_alpha 112.43373
_cell_angle_beta 76.55685
_cell_angle_gamma 100.41922
_cell_volume 1073.39955
_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
Al1 Al 0.52937 0.79244 0.71803 1.00000
Al2 Al 0.47063 0.20756 0.28197 1.00000
Al3 Al 0.65746 0.44892 0.89692 1.00000
Al4 Al 0.34254 0.55108 0.10308 1.00000
Te1 Te 0.96700 0.94855 0.90450 1.00000
Te2 Te 0.03300 0.05145 0.09550 1.00000
Te3 Te 0.93165 0.39809 0.44223 1.00000
Te4 Te 0.06835 0.60191 0.55777 1.00000
Cl1 Cl 0.53595 0.84514 0.88855 1.00000
Cl2 Cl 0.46405 0.15486 0.11145 1.00000
Cl3 Cl 0.81062 0.82866 0.63445 1.00000
Cl4 Cl 0.18938 0.17134 0.36555 1.00000
Cl5 Cl 0.43535 0.60212 0.65503 1.00000
Cl6 Cl 0.56465 0.39788 0.34497 1.00000
Cl7 Cl 0.33485 0.89296 0.69684 1.00000
Cl8 Cl 0.66515 0.10704 0.30316 1.00000
Cl9 Cl 0.61164 0.46435 0.07293 1.00000
Cl10 Cl 0.38836 0.53565 0.92707 1.00000
Cl11 Cl 0.62888 0.26924 0.79495 1.00000
Cl12 Cl 0.37112 0.73076 0.20505 1.00000
Cl13 Cl 0.89576 0.56446 0.86539 1.00000
Cl14 Cl 0.10424 0.43554 0.13461 1.00000
