Hf4Th5Sn4
Alexandria ALEXAlex-ID: agm029353513 · Space group: I4/m (#87)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B4C5_18_spg87
Th5Sn4 Hf
2024-11-27 17:32:17.890547
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm029353513).
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 agm029353513
data_agm029353513
_cell_length_a 9.49095
_cell_length_b 9.49095
_cell_length_c 9.49095
_cell_angle_alpha 92.85796
_cell_angle_beta 92.85796
_cell_angle_gamma 154.19488
_cell_volume 362.76255
_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 0.41883 0.91250 0.33133 1.00000
Hf2 Hf 0.91250 0.58117 0.49367 1.00000
Hf3 Hf 0.58117 0.08750 0.66867 1.00000
Hf4 Hf 0.08750 0.41883 0.50633 1.00000
Th1 Th 0.62414 0.70780 0.33193 1.00000
Th2 Th 0.37586 0.29220 0.66807 1.00000
Th3 Th 0.00000 0.00000 0.00000 1.00000
Th4 Th 0.29220 0.62414 0.91634 1.00000
Th5 Th 0.70780 0.37586 0.08366 1.00000
Sn1 Sn 0.06512 0.75460 0.81972 1.00000
Sn2 Sn 0.93488 0.24540 0.18028 1.00000
Sn3 Sn 0.75460 0.93488 0.68948 1.00000
Sn4 Sn 0.24540 0.06512 0.31052 1.00000
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