Ti2Ni5Te6
Alexandria ALEXAlex-ID: agm011824906 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C6_242_spg2
TiNiTe2 Ni3Te2
2024-11-03 12:32:55.226614
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011824906).
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 agm011824906
data_agm011824906
_cell_length_a 7.57523
_cell_length_b 8.03418
_cell_length_c 10.61995
_cell_angle_alpha 91.31393
_cell_angle_beta 89.84427
_cell_angle_gamma 117.90393
_cell_volume 571.01691
_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
Ti1 Ti 0.11661 0.98324 0.19998 1.00000
Ti2 Ti 0.61617 0.98585 0.20581 1.00000
Ti3 Ti 0.88339 0.01676 0.80002 1.00000
Ti4 Ti 0.38383 0.01415 0.79419 1.00000
Ni1 Ni 0.62960 0.00124 0.58928 1.00000
Ni2 Ni 0.13098 0.01065 0.58742 1.00000
Ni3 Ni 0.37040 0.99876 0.41072 1.00000
Ni4 Ni 0.86902 0.98935 0.41258 1.00000
Ni5 Ni 0.57364 0.89884 0.95901 1.00000
Ni6 Ni 0.07532 0.89701 0.95881 1.00000
Ni7 Ni 0.42636 0.10116 0.04099 1.00000
Ni8 Ni 0.92468 0.10299 0.04119 1.00000
Ni9 Ni 0.73478 0.22244 0.40900 1.00000
Ni10 Ni 0.26522 0.77756 0.59100 1.00000
Te1 Te 0.49796 0.74667 0.40370 1.00000
Te2 Te 0.00214 0.75485 0.40294 1.00000
Te3 Te 0.50204 0.25333 0.59630 1.00000
Te4 Te 0.99786 0.24515 0.59706 1.00000
Te5 Te 0.49785 0.72848 0.74570 1.00000
Te6 Te 0.98449 0.73184 0.74409 1.00000
Te7 Te 0.50215 0.27152 0.25430 1.00000
Te8 Te 0.01551 0.26816 0.25591 1.00000
Te9 Te 0.75577 0.26426 0.92368 1.00000
Te10 Te 0.25646 0.26323 0.92444 1.00000
Te11 Te 0.24423 0.73574 0.07632 1.00000
Te12 Te 0.74354 0.73677 0.07556 1.00000
