K6Tl8Ni
Alexandria ALEXAlex-ID: agm072232648 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_620_spg2
K8Tl11 K10Tl7 Ni
2024-10-06 20:44:27.434316
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072232648).
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 agm072232648
data_agm072232648
_cell_length_a 7.16134
_cell_length_b 10.74767
_cell_length_c 9.22684
_cell_angle_alpha 106.86242
_cell_angle_beta 105.60679
_cell_angle_gamma 112.83769
_cell_volume 564.68939
_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
K1 K 0.25532 0.92991 0.59645 1.00000
K2 K 0.31701 0.63513 0.16235 1.00000
K3 K 0.71298 0.50026 0.35558 1.00000
K4 K 0.74468 0.07009 0.40355 1.00000
K5 K 0.68299 0.36487 0.83765 1.00000
K6 K 0.28702 0.49974 0.64442 1.00000
Tl1 Tl 0.57540 0.87739 0.95203 1.00000
Tl2 Tl 0.42460 0.12261 0.04797 1.00000
Tl3 Tl 0.73639 0.85286 0.65453 1.00000
Tl4 Tl 0.90804 0.78737 0.14527 1.00000
Tl5 Tl 0.96613 0.26028 0.15825 1.00000
Tl6 Tl 0.26361 0.14714 0.34547 1.00000
Tl7 Tl 0.09196 0.21263 0.85473 1.00000
Tl8 Tl 0.03387 0.73972 0.84175 1.00000
Ni1 Ni 0.00000 0.00000 0.00000 1.00000
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