Ce8Hf6In
Alexandria ALEXAlex-ID: agm072879210 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_664_spg12
Ce2In Ce Hf
2024-10-11 10:13:24.177927
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072879210).
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 agm072879210
data_agm072879210
_cell_length_a 5.19596
_cell_length_b 8.12313
_cell_length_c 9.54663
_cell_angle_alpha 105.09832
_cell_angle_beta 90.03349
_cell_angle_gamma 108.62798
_cell_volume 367.09993
_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
Ce1 Ce 0.43896 0.87835 0.77329 1.00000
Ce2 Ce 0.56104 0.12165 0.22671 1.00000
Ce3 Ce 0.82499 0.64967 0.15507 1.00000
Ce4 Ce 0.97757 0.95472 0.63638 1.00000
Ce5 Ce 0.64700 0.29353 0.96954 1.00000
Ce6 Ce 0.17501 0.35033 0.84493 1.00000
Ce7 Ce 0.02243 0.04528 0.36362 1.00000
Ce8 Ce 0.35300 0.70647 0.03046 1.00000
Hf1 Hf 0.79623 0.59281 0.77660 1.00000
Hf2 Hf 0.23236 0.46454 0.56523 1.00000
Hf3 Hf 0.39514 0.79024 0.41007 1.00000
Hf4 Hf 0.20377 0.40719 0.22340 1.00000
Hf5 Hf 0.76764 0.53546 0.43477 1.00000
Hf6 Hf 0.60486 0.20976 0.58993 1.00000
In1 In 0.00000 0.00000 0.00000 1.00000
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