La6DyTl2
Alexandria ALEXAlex-ID: agm005676009 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_707_spg12
LaDy4 La3Tl La5Tl3
2023-07-08 09:08:36.491408
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005676009).
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 agm005676009
data_agm005676009
_cell_length_a 3.89494
_cell_length_b 6.97887
_cell_length_c 12.26821
_cell_angle_alpha 73.51728
_cell_angle_beta 80.86616
_cell_angle_gamma 73.79634
_cell_volume 305.92244
_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 0.67658 0.52313 0.12372 1.00000
La2 La 0.32342 0.47687 0.87628 1.00000
La3 La 0.30554 0.79225 0.59668 1.00000
La4 La 0.97763 0.70174 0.34299 1.00000
La5 La 0.02237 0.29826 0.65701 1.00000
La6 La 0.69446 0.20775 0.40332 1.00000
Dy1 Dy 0.00000 0.00000 0.00000 1.00000
Tl1 Tl 0.36210 0.08867 0.18714 1.00000
Tl2 Tl 0.63790 0.91133 0.81286 1.00000
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