Tl4Sb2N3
Alexandria ALEXAlex-ID: agm005671809 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_1163_spg2
TlSbN2 SbN Tl
2023-07-01 19:19:31.806761
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005671809).
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 agm005671809
data_agm005671809
_cell_length_a 5.86772
_cell_length_b 25.52174
_cell_length_c 18.86445
_cell_angle_alpha 11.20624
_cell_angle_beta 93.27282
_cell_angle_gamma 91.67257
_cell_volume 542.86589
_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 0.48318 0.84732 0.01404 1.00000
Tl2 Tl 0.97825 0.58065 0.48097 1.00000
Tl3 Tl 0.51682 0.15268 0.98596 1.00000
Tl4 Tl 0.02175 0.41935 0.51903 1.00000
Tl5 Tl 0.00763 0.23355 0.41032 1.00000
Tl6 Tl 0.45093 0.51031 0.83504 1.00000
Tl7 Tl 0.99237 0.76645 0.58968 1.00000
Tl8 Tl 0.54907 0.48969 0.16496 1.00000
Sb1 Sb 0.47210 0.01434 0.61632 1.00000
Sb2 Sb 0.98165 0.40177 0.87016 1.00000
Sb3 Sb 0.52790 0.98566 0.38368 1.00000
Sb4 Sb 0.01835 0.59823 0.12984 1.00000
N1 N 0.66238 0.29906 0.01870 1.00000
N2 N 0.82624 0.92382 0.74486 1.00000
N3 N 0.33762 0.70094 0.98130 1.00000
N4 N 0.17376 0.07618 0.25514 1.00000
N5 N 0.24837 0.54380 0.45070 1.00000
N6 N 0.75163 0.45620 0.54930 1.00000
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