NaTl3Rh
Alexandria ALEXAlex-ID: agm005771546 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_6347_spg14
NaTl2 Tl Rh
2023-07-04 20:45:57.351424
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005771546).
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 agm005771546
data_agm005771546
_cell_length_a 6.97664
_cell_length_b 8.52967
_cell_length_c 9.26410
_cell_angle_alpha 106.93686
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 527.38056
_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
Na1 Na 0.75603 0.45963 0.02410 1.00000
Na2 Na 0.24397 0.54037 0.97590 1.00000
Na3 Na 0.25603 0.04037 0.47590 1.00000
Na4 Na 0.74397 0.95963 0.52410 1.00000
Tl1 Tl 0.64684 0.27917 0.30146 1.00000
Tl2 Tl 0.35316 0.72083 0.69854 1.00000
Tl3 Tl 0.14684 0.22083 0.19854 1.00000
Tl4 Tl 0.85316 0.77917 0.80146 1.00000
Tl5 Tl 0.47998 0.66116 0.32524 1.00000
Tl6 Tl 0.52002 0.33884 0.67476 1.00000
Tl7 Tl 0.97998 0.83884 0.17476 1.00000
Tl8 Tl 0.02002 0.16116 0.82524 1.00000
Tl9 Tl 0.00736 0.62590 0.39428 1.00000
Tl10 Tl 0.99264 0.37410 0.60572 1.00000
Tl11 Tl 0.50736 0.87410 0.10572 1.00000
Tl12 Tl 0.49264 0.12590 0.89428 1.00000
Rh1 Rh 0.68789 0.57457 0.55545 1.00000
Rh2 Rh 0.31211 0.42543 0.44455 1.00000
Rh3 Rh 0.18789 0.92543 0.94455 1.00000
Rh4 Rh 0.81211 0.07457 0.05545 1.00000
