Hf2ZrCd
Alexandria ALEXAlex-ID: agm002033763 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_674_spg1
HfZrCd Hf
2021-11-19 17:29:16
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002033763).
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 agm002033763
data_agm002033763
_cell_length_a 5.56628
_cell_length_b 5.94906
_cell_length_c 6.30305
_cell_angle_alpha 73.51031
_cell_angle_beta 88.87293
_cell_angle_gamma 63.00673
_cell_volume 176.87149
_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 0.47019 0.24751 0.55987 1.00000
Hf2 Hf 0.52981 0.75249 0.44013 1.00000
Hf3 Hf 0.45727 0.24423 0.06050 1.00000
Hf4 Hf 0.54273 0.75577 0.93950 1.00000
Zr1 Zr 0.97855 0.23730 0.81061 1.00000
Zr2 Zr 0.02145 0.76270 0.18939 1.00000
Cd1 Cd 0.95552 0.25580 0.31135 1.00000
Cd2 Cd 0.04448 0.74420 0.68865 1.00000
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