Y5(TlNi)2
Alexandria ALEXAlex-ID: agm005564005 · Space group: Cmce (#64)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_59_spg64
Y5Tl3 Y2TlNi2 YNi
2023-06-03 04:55:35.555602
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005564005).
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 agm005564005
data_agm005564005
_cell_length_a 8.34738
_cell_length_b 7.06780
_cell_length_c 8.89053
_cell_angle_alpha 90.00000
_cell_angle_beta 62.00118
_cell_angle_gamma 90.00000
_cell_volume 463.12843
_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
Y1 Y 0.00000 0.00000 0.00000 1.00000
Y2 Y 0.50000 0.50000 0.00000 1.00000
Y3 Y 0.43633 0.15419 0.76493 1.00000
Y4 Y 0.79874 0.84581 0.76493 1.00000
Y5 Y 0.29874 0.65419 0.76493 1.00000
Y6 Y 0.93633 0.34581 0.76493 1.00000
Y7 Y 0.56367 0.84581 0.23507 1.00000
Y8 Y 0.20126 0.15419 0.23507 1.00000
Y9 Y 0.70126 0.34581 0.23507 1.00000
Y10 Y 0.06367 0.65419 0.23507 1.00000
Tl1 Tl 0.21542 0.00000 0.56916 1.00000
Tl2 Tl 0.71542 0.50000 0.56916 1.00000
Tl3 Tl 0.78458 0.00000 0.43084 1.00000
Tl4 Tl 0.28458 0.50000 0.43084 1.00000
Ni1 Ni 0.11096 0.37455 1.00000 1.00000
Ni2 Ni 0.88904 0.62545 0.00000 1.00000
Ni3 Ni 0.38904 0.87455 0.00000 1.00000
Ni4 Ni 0.61096 0.12545 1.00000 1.00000
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