Zr2Cd
Alexandria ALEXAlex-ID: agm003200722 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_4_spg12
Zr2Cd
2021-12-03 06:13:21.802798
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003200722).
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 agm003200722
data_agm003200722
_cell_length_a 6.51798
_cell_length_b 6.51798
_cell_length_c 6.73031
_cell_angle_alpha 76.12502
_cell_angle_beta 76.12502
_cell_angle_gamma 29.20399
_cell_volume 135.16021
_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
Cd1 Cd 0.97325 0.97325 0.06283 1.00000
Cd2 Cd 0.63786 0.63786 0.21495 1.00000
Zr1 Zr 0.63941 0.63941 0.72600 1.00000
Zr2 Zr 0.30093 0.30093 0.39697 1.00000
Zr3 Zr 0.31018 0.31018 0.88080 1.00000
Zr4 Zr 0.97170 0.97170 0.55177 1.00000
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