NaHf2Te4Cl10O
Alexandria ALEXAlex-ID: agm010220546 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4E10_32_spg1
Hf(TeCl6)2 Hf(Te2Cl3)2 Na2HfCl6 HfO2 Te
2024-05-10 16:30:54.440388
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010220546).
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 agm010220546
data_agm010220546
_cell_length_a 7.22395
_cell_length_b 7.91479
_cell_length_c 10.83365
_cell_angle_alpha 83.17711
_cell_angle_beta 101.42953
_cell_angle_gamma 101.37582
_cell_volume 593.16176
_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
Na1 Na 0.09745 0.50717 0.57833 1.00000
Hf1 Hf 0.60027 0.51163 0.68980 1.00000
Hf2 Hf 0.40754 0.50319 0.33440 1.00000
Te1 Te 0.00329 0.73750 0.11196 1.00000
Te2 Te 0.21434 0.93375 0.94034 1.00000
Te3 Te 0.80688 0.00935 0.10638 1.00000
Te4 Te 0.02439 0.20254 0.93880 1.00000
Cl1 Cl 0.30595 0.55265 0.08876 1.00000
Cl2 Cl 0.42075 0.71618 0.74035 1.00000
Cl3 Cl 0.07160 0.37434 0.33967 1.00000
Cl4 Cl 0.71011 0.70583 0.31074 1.00000
Cl5 Cl 0.51912 0.25130 0.31413 1.00000
Cl6 Cl 0.26112 0.80354 0.31519 1.00000
Cl7 Cl 0.33418 0.26831 0.74668 1.00000
Cl8 Cl 0.77735 0.28238 0.66135 1.00000
Cl9 Cl 0.87550 0.72773 0.65350 1.00000
Cl10 Cl 0.75643 0.48007 0.93524 1.00000
O1 O 0.46374 0.51587 0.51582 1.00000
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