AgTeP3
Alexandria ALEXAlex-ID: agm006226597 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_4546_spg14
Ag2Te Te Ag3P11
2024-10-21 07:56:14
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006226597).
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 agm006226597
data_agm006226597
_cell_length_a 9.44979
_cell_length_b 7.45046
_cell_length_c 15.98795
_cell_angle_alpha 79.70018
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 1107.49634
_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
Ag1 Ag 0.78543 0.56849 0.01341 1.00000
Ag2 Ag 0.28543 0.93151 0.48658 1.00000
Ag3 Ag 0.21457 0.43151 0.98659 1.00000
Ag4 Ag 0.71457 0.06849 0.51341 1.00000
Ag5 Ag 0.83975 0.43484 0.29912 1.00000
Ag6 Ag 0.33975 0.06516 0.20088 1.00000
Ag7 Ag 0.16025 0.56516 0.70088 1.00000
Ag8 Ag 0.66025 0.93484 0.79912 1.00000
P1 P 0.85089 0.23622 0.00118 1.00000
P2 P 0.35089 0.26378 0.49882 1.00000
P3 P 0.14911 0.76378 0.99882 1.00000
P4 P 0.64911 0.73622 0.50118 1.00000
P5 P 0.77097 0.05436 0.30659 1.00000
P6 P 0.27097 0.44564 0.19341 1.00000
P7 P 0.22903 0.94564 0.69341 1.00000
P8 P 0.72903 0.55436 0.80659 1.00000
P9 P 0.38720 0.17197 0.04663 1.00000
P10 P 0.88720 0.32803 0.45337 1.00000
P11 P 0.61280 0.82803 0.95337 1.00000
P12 P 0.11280 0.67197 0.54663 1.00000
P13 P 0.42243 0.93417 0.34844 1.00000
P14 P 0.92243 0.56583 0.15156 1.00000
P15 P 0.57757 0.06583 0.65156 1.00000
P16 P 0.07757 0.43417 0.84844 1.00000
P17 P 0.64550 0.25107 0.22560 1.00000
P18 P 0.14550 0.24893 0.27440 1.00000
P19 P 0.35450 0.74893 0.77440 1.00000
P20 P 0.85450 0.75107 0.72560 1.00000
P21 P 0.57569 0.16550 0.35822 1.00000
P22 P 0.07569 0.33450 0.14178 1.00000
P23 P 0.42431 0.83450 0.64178 1.00000
P24 P 0.92431 0.66550 0.85822 1.00000
Te1 Te 0.14882 0.45875 0.44015 1.00000
Te2 Te 0.64882 0.04125 0.05985 1.00000
Te3 Te 0.85118 0.54125 0.55985 1.00000
Te4 Te 0.35118 0.95875 0.94015 1.00000
Te5 Te 0.62762 0.71345 0.34780 1.00000
Te6 Te 0.12762 0.78655 0.15220 1.00000
Te7 Te 0.37238 0.28655 0.65220 1.00000
Te8 Te 0.87238 0.21345 0.84780 1.00000
