Hf8TlH4
Alexandria ALEXAlex-ID: agm098074693 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_1866_spg1
Hf Tl HfH
2025-06-15 15:12:57
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm098074693).
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 agm098074693
data_agm098074693
_cell_length_a 3.21463
_cell_length_b 8.62830
_cell_length_c 8.88341
_cell_angle_alpha 120.23877
_cell_angle_beta 85.95518
_cell_angle_gamma 93.95857
_cell_volume 212.18006
_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
Hf1 Hf 0.10525 0.07201 0.33707 1.00000
Hf2 Hf 0.21735 0.32723 0.98930 1.00000
Hf3 Hf 0.22664 0.70104 0.32767 1.00000
Hf4 Hf 0.18311 0.70476 0.69799 1.00000
Hf5 Hf 0.67475 0.39913 0.33749 1.00000
Hf6 Hf 0.54836 0.36347 0.65668 1.00000
Hf7 Hf 0.74683 0.67277 0.01199 1.00000
Hf8 Hf 0.73075 0.00341 0.64620 1.00000
Tl1 Tl 0.67892 0.02200 0.00526 1.00000
H1 H 0.23342 0.80812 0.16817 1.00000
H2 H 0.23811 0.97027 0.48694 1.00000
H3 H 0.73159 0.40162 0.89279 1.00000
H4 H 0.18491 0.55419 0.44245 1.00000
Get direct link