Hf12Zr6Cd
Alexandria ALEXAlex-ID: agm006106926 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C12_352_spg12
HfZr2Cd HfZr2 Hf
2023-08-30 06:51:14.590984
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006106926).
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 agm006106926
data_agm006106926
_cell_length_a 8.65503
_cell_length_b 8.33878
_cell_length_c 8.33890
_cell_angle_alpha 93.44740
_cell_angle_beta 118.15464
_cell_angle_gamma 118.15128
_cell_volume 435.81122
_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 0.78118 0.21129 0.44262 1.00000
Hf2 Hf 0.38108 0.13357 0.39344 1.00000
Hf3 Hf 0.38108 0.39343 0.13357 1.00000
Hf4 Hf 0.77630 0.58287 0.58287 1.00000
Hf5 Hf 0.61892 0.60657 0.86643 1.00000
Hf6 Hf 0.61892 0.86643 0.60656 1.00000
Hf7 Hf 0.50001 0.78931 0.21069 1.00000
Hf8 Hf 0.21881 0.55738 0.78871 1.00000
Hf9 Hf 0.21882 0.78871 0.55738 1.00000
Hf10 Hf 0.49999 0.21069 0.78931 1.00000
Hf11 Hf 0.78119 0.44262 0.21129 1.00000
Hf12 Hf 0.22370 0.41713 0.41713 1.00000
Zr1 Zr 0.09568 0.68654 0.14674 1.00000
Zr2 Zr 0.09567 0.14673 0.68654 1.00000
Zr3 Zr 0.70395 0.03939 0.03938 1.00000
Zr4 Zr 0.90433 0.85327 0.31346 1.00000
Zr5 Zr 0.90432 0.31346 0.85326 1.00000
Zr6 Zr 0.29605 0.96061 0.96062 1.00000
Cd1 Cd 0.00000 0.00000 0.00000 1.00000
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