K2Hf(Te2Pd)2
Alexandria ALEXAlex-ID: agm011454063 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D4_161_spg12
K2Te4Pd3 K4HfTe4 KHfTe3Pd HfPd3
2024-06-24 11:48:25.292207
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011454063).
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
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# CIF generated by HEAS from Alexandria entry agm011454063
data_agm011454063
_cell_length_a 9.45264
_cell_length_b 9.45264
_cell_length_c 7.29252
_cell_angle_alpha 70.05209
_cell_angle_beta 70.05209
_cell_angle_gamma 27.65786
_cell_volume 283.18461
_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 0.83509 0.83509 0.13920 1.00000
K2 K 0.16491 0.16491 0.86080 1.00000
Hf1 Hf 0.00000 0.00000 0.50000 1.00000
Te1 Te 0.82366 0.82366 0.66087 1.00000
Te2 Te 0.17634 0.17634 0.33913 1.00000
Te3 Te 0.52914 0.52914 0.75494 1.00000
Te4 Te 0.47086 0.47086 0.24506 1.00000
Pd1 Pd 0.40362 0.40362 0.65936 1.00000
Pd2 Pd 0.59638 0.59638 0.34064 1.00000
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