La3TlNi
Alexandria ALEXAlex-ID: agm005801465 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_5566_spg2
La3Tl La5Tl3 La3Ni4
2023-07-05 00:35:15.386201
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005801465).
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
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# CIF generated by HEAS from Alexandria entry agm005801465
data_agm005801465
_cell_length_a 5.32104
_cell_length_b 6.67993
_cell_length_c 9.66881
_cell_angle_alpha 75.72251
_cell_angle_beta 74.02813
_cell_angle_gamma 66.52894
_cell_volume 299.38525
_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 0.87187 0.98439 0.27188 1.00000
La2 La 0.12813 0.01561 0.72812 1.00000
La3 La 0.62405 0.69284 0.05906 1.00000
La4 La 0.37595 0.30716 0.94094 1.00000
La5 La 0.85867 0.61293 0.66973 1.00000
La6 La 0.14133 0.38707 0.33027 1.00000
Tl1 Tl 0.41750 0.74082 0.42419 1.00000
Tl2 Tl 0.58250 0.25918 0.57581 1.00000
Ni1 Ni 0.10369 0.77050 0.02212 1.00000
Ni2 Ni 0.89631 0.22950 0.97788 1.00000
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