Tl3Ni2
Alexandria ALEXAlex-ID: agm005507841 · Space group: Fdd2 (#43)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3_502_spg43
Ni Tl
2023-03-20 23:15:01.319105
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005507841).
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 agm005507841
data_agm005507841
_cell_length_a 9.29602
_cell_length_b 7.07944
_cell_length_c 6.91169
_cell_angle_alpha 83.26679
_cell_angle_beta 49.13939
_cell_angle_gamma 47.59382
_cell_volume 206.90700
_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 0.60516 0.68503 0.14114 1.00000
Tl2 Tl 0.56867 0.14114 0.68503 1.00000
Tl3 Tl 0.10886 0.68133 0.64484 1.00000
Tl4 Tl 0.56497 0.64484 0.68133 1.00000
Tl5 Tl 0.15940 0.34060 0.34060 1.00000
Tl6 Tl 0.90940 0.09060 0.09060 1.00000
Ni1 Ni 0.59114 0.35460 0.97863 1.00000
Ni2 Ni 0.07563 0.97863 0.35460 1.00000
Ni3 Ni 0.27137 0.17437 0.65886 1.00000
Ni4 Ni 0.89540 0.65886 0.17437 1.00000
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