K3Ho(ScTe3)2
Alexandria ALEXAlex-ID: agm034935082 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_28_spg12
KScTe2 KHoTe2
2024-12-19 05:04:09
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034935082).
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 agm034935082
data_agm034935082
_cell_length_a 10.57729
_cell_length_b 10.57729
_cell_length_c 9.63020
_cell_angle_alpha 69.52113
_cell_angle_beta 110.47887
_cell_angle_gamma 156.14868
_cell_volume 406.86415
_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 0.50000 0.50000 0.50000 1.00000
K2 K 0.83492 0.16508 0.16796 1.00000
K3 K 0.16508 0.83492 0.83204 1.00000
Ho1 Ho 0.50000 0.50000 0.00000 1.00000
Sc1 Sc 0.83149 0.16851 0.66452 1.00000
Sc2 Sc 0.16851 0.83149 0.33548 1.00000
Te1 Te 0.34036 0.65964 0.88281 1.00000
Te2 Te 0.67850 0.32150 0.55291 1.00000
Te3 Te 0.65964 0.34036 0.11719 1.00000
Te4 Te 0.01390 0.98610 0.23321 1.00000
Te5 Te 0.98610 0.01390 0.76679 1.00000
Te6 Te 0.32150 0.67850 0.44709 1.00000
Get direct link