ZrZn(CdH4)2
Alexandria ALEXAlex-ID: agm007444555 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_520_spg164
ZrH2 Cd Zn CdH4
2025-05-27 09:44:24
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007444555).
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
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# CIF generated by HEAS from Alexandria entry agm007444555
data_agm007444555
_cell_length_a 5.60338
_cell_length_b 5.60425
_cell_length_c 5.65393
_cell_angle_alpha 94.43038
_cell_angle_beta 63.27016
_cell_angle_gamma 81.03216
_cell_volume 154.43656
_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
Zr1 Zr 0.01967 0.00245 0.98021 1.00000
Zn1 Zn 0.05224 0.50003 0.94486 1.00000
Cd1 Cd 0.63387 0.00822 0.64888 1.00000
Cd2 Cd 0.32556 0.01877 0.36964 1.00000
H1 H 0.27260 0.83818 0.10949 1.00000
H2 H 0.25908 0.68044 0.75717 1.00000
H3 H 0.82904 0.74582 0.18765 1.00000
H4 H 0.96822 0.28163 0.78558 1.00000
H5 H 0.24116 0.25219 0.99466 1.00000
H6 H 0.62865 0.16114 0.12466 1.00000
H7 H 0.87891 0.16771 0.35797 1.00000
H8 H 0.89099 0.84343 0.73924 1.00000
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