Hf3Zr5In
Alexandria ALEXAlex-ID: agm003564530 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_204_spg12
HfZr2 Zr3In Hf
2022-03-25 10:06:24.509621
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003564530).
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 agm003564530
data_agm003564530
_cell_length_a 6.86920
_cell_length_b 6.86920
_cell_length_c 10.73910
_cell_angle_alpha 87.20087
_cell_angle_beta 87.20087
_cell_angle_gamma 62.57798
_cell_volume 449.06170
_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 0.65037 0.65037 0.78801 1.00000
Hf2 Hf 0.74056 0.74056 0.51853 1.00000
Hf3 Hf 0.00000 0.00000 0.00000 1.00000
Hf4 Hf 0.00000 0.00000 0.50000 1.00000
Hf5 Hf 0.34963 0.34963 0.21199 1.00000
Hf6 Hf 0.25944 0.25944 0.48147 1.00000
Zr1 Zr 0.92621 0.34957 0.24014 1.00000
Zr2 Zr 0.33143 0.66857 0.00000 1.00000
Zr3 Zr 0.76045 0.76045 0.01924 1.00000
Zr4 Zr 0.51465 0.51465 0.38013 1.00000
Zr5 Zr 0.48535 0.48535 0.61987 1.00000
Zr6 Zr 0.23955 0.23955 0.98076 1.00000
Zr7 Zr 0.34957 0.92621 0.24014 1.00000
Zr8 Zr 0.66857 0.33143 0.00000 1.00000
Zr9 Zr 0.07379 0.65043 0.75986 1.00000
Zr10 Zr 0.65043 0.07379 0.75986 1.00000
In1 In 0.11643 0.11643 0.73662 1.00000
In2 In 0.88357 0.88357 0.26338 1.00000
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