Ho3TiTe20
Alexandria ALEXAlex-ID: agm008244353 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C20_9_spg5
TiTe5 HoTe3 Te
2024-04-24 19:29:22.638761
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008244353).
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 agm008244353
data_agm008244353
_cell_length_a 8.60844
_cell_length_b 8.60844
_cell_length_c 27.68656
_cell_angle_alpha 91.58782
_cell_angle_beta 91.58782
_cell_angle_gamma 153.04909
_cell_volume 923.29634
_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
Ho1 Ho 0.83030 0.16970 0.00000 1.00000
Ho2 Ho 0.43782 0.08222 0.25034 1.00000
Ho3 Ho 0.91778 0.56218 0.74966 1.00000
Ti1 Ti 0.31414 0.68586 0.50000 1.00000
Te1 Te 0.86001 0.04764 0.44999 1.00000
Te2 Te 0.40491 0.51019 0.94988 1.00000
Te3 Te 0.85866 0.74260 0.29800 1.00000
Te4 Te 0.34959 0.21984 0.80221 1.00000
Te5 Te 0.95236 0.13999 0.55001 1.00000
Te6 Te 0.48981 0.59509 0.05012 1.00000
Te7 Te 0.78016 0.65041 0.19779 1.00000
Te8 Te 0.25740 0.14134 0.70200 1.00000
Te9 Te 0.08349 0.43889 0.25091 1.00000
Te10 Te 0.56111 0.91651 0.74909 1.00000
Te11 Te 0.68475 0.31525 0.50000 1.00000
Te12 Te 0.18628 0.81372 0.00000 1.00000
Te13 Te 0.12780 0.68739 0.41216 1.00000
Te14 Te 0.60997 0.16758 0.90887 1.00000
Te15 Te 0.64830 0.07691 0.34218 1.00000
Te16 Te 0.13748 0.56019 0.83988 1.00000
Te17 Te 0.31261 0.87220 0.58784 1.00000
Te18 Te 0.83242 0.39003 0.09113 1.00000
Te19 Te 0.43981 0.86252 0.16012 1.00000
Te20 Te 0.92309 0.35170 0.65782 1.00000
