La7(TlRu)2
Alexandria ALEXAlex-ID: agm003320107 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C7_243_spg65
La4TlRu La3TlRu
2022-01-26 14:51:45.311342
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003320107).
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 agm003320107
data_agm003320107
_cell_length_a 7.18117
_cell_length_b 7.33946
_cell_length_c 7.18117
_cell_angle_alpha 90.00851
_cell_angle_beta 108.31843
_cell_angle_gamma 89.99149
_cell_volume 359.30929
_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
La1 La 0.00015 0.24856 0.50006 1.00000
La2 La 0.50006 0.75144 0.00015 1.00000
La3 La 0.99985 0.75144 0.49994 1.00000
La4 La 0.49994 0.24856 0.99985 1.00000
La5 La 0.00000 0.00000 0.00000 1.00000
La6 La 0.49983 0.75955 0.50017 1.00000
La7 La 0.50017 0.24045 0.49983 1.00000
Tl1 Tl 0.82514 0.50000 0.82514 1.00000
Tl2 Tl 0.17486 0.50000 0.17486 1.00000
Ru1 Ru 0.70795 0.99998 0.29205 1.00000
Ru2 Ru 0.29205 0.00002 0.70795 1.00000
Get direct link