Tl3Sb2P3
Alexandria ALEXAlex-ID: agm071109908 · Space group: P4_332 (#212)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3_1851_spg212
Tl2Sb Sb TlP5
2024-08-07 06:09:34.636160
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm071109908).
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 agm071109908
data_agm071109908
_cell_length_a 9.88064
_cell_length_b 9.88064
_cell_length_c 9.88064
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 964.61808
_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
Tl1 Tl 0.62500 0.84774 0.40226 1.00000
Tl2 Tl 0.87500 0.15226 0.90226 1.00000
Tl3 Tl 0.37500 0.34774 0.09774 1.00000
Tl4 Tl 0.12500 0.65226 0.59774 1.00000
Tl5 Tl 0.40226 0.62500 0.84774 1.00000
Tl6 Tl 0.90226 0.87500 0.15226 1.00000
Tl7 Tl 0.09774 0.37500 0.34774 1.00000
Tl8 Tl 0.59774 0.12500 0.65226 1.00000
Tl9 Tl 0.84774 0.40226 0.62500 1.00000
Tl10 Tl 0.15226 0.90226 0.87500 1.00000
Tl11 Tl 0.34774 0.09774 0.37500 1.00000
Tl12 Tl 0.65226 0.59774 0.12500 1.00000
Sb1 Sb 0.81106 0.81106 0.81106 1.00000
Sb2 Sb 0.68894 0.18894 0.31106 1.00000
Sb3 Sb 0.18894 0.31106 0.68894 1.00000
Sb4 Sb 0.31106 0.68894 0.18894 1.00000
Sb5 Sb 0.06106 0.56106 0.93894 1.00000
Sb6 Sb 0.43894 0.43894 0.43894 1.00000
Sb7 Sb 0.56106 0.93894 0.06106 1.00000
Sb8 Sb 0.93894 0.06106 0.56106 1.00000
P1 P 0.62500 0.19310 0.05690 1.00000
P2 P 0.87500 0.80690 0.55690 1.00000
P3 P 0.37500 0.69310 0.44310 1.00000
P4 P 0.12500 0.30690 0.94310 1.00000
P5 P 0.05690 0.62500 0.19310 1.00000
P6 P 0.55690 0.87500 0.80690 1.00000
P7 P 0.44310 0.37500 0.69310 1.00000
P8 P 0.94310 0.12500 0.30690 1.00000
P9 P 0.19310 0.05690 0.62500 1.00000
P10 P 0.80690 0.55690 0.87500 1.00000
P11 P 0.69310 0.44310 0.37500 1.00000
P12 P 0.30690 0.94310 0.12500 1.00000
