La5NdTl6
Alexandria ALEXAlex-ID: agm006111867 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_47_spg65
LaNdTl2 LaTl
2023-08-29 14:34:50.278051
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006111867).
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 agm006111867
data_agm006111867
_cell_length_a 5.64078
_cell_length_b 7.88251
_cell_length_c 8.92415
_cell_angle_alpha 89.99994
_cell_angle_beta 71.57638
_cell_angle_gamma 89.99983
_cell_volume 376.46121
_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 0.83555 0.75339 0.32893 1.00000
Tl2 Tl 0.83553 0.24661 0.32893 1.00000
Tl3 Tl 0.50002 0.24821 1.00000 1.00000
Tl4 Tl 0.49998 0.75179 0.00000 1.00000
Tl5 Tl 0.16447 0.75339 0.67107 1.00000
Tl6 Tl 0.16445 0.24661 0.67107 1.00000
Nd1 Nd 0.00000 0.00000 0.00000 1.00000
La1 La 0.66902 0.50000 0.66197 1.00000
La2 La 0.33355 0.00000 0.33290 1.00000
La3 La 0.00000 0.50000 0.00000 1.00000
La4 La 0.66645 1.00000 0.66710 1.00000
La5 La 0.33098 0.50000 0.33803 1.00000
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