ZrZn2CuH8
Alexandria ALEXAlex-ID: agm007745813 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_394_spg2
Zn8Cu5 Zr4H15 ZnH2 CuH4
2024-08-08 00:13:36.470329
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007745813).
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 agm007745813
data_agm007745813
_cell_length_a 4.53522
_cell_length_b 5.70269
_cell_length_c 4.93352
_cell_angle_alpha 92.68254
_cell_angle_beta 103.02744
_cell_angle_gamma 120.10394
_cell_volume 105.59174
_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 0.50000 0.00000 0.50000 1.00000
Zn1 Zn 0.23863 0.43154 0.62881 1.00000
Zn2 Zn 0.76137 0.56846 0.37119 1.00000
Cu1 Cu 0.00000 0.00000 0.00000 1.00000
H1 H 0.94636 0.13092 0.33187 1.00000
H2 H 0.57109 0.36352 0.68401 1.00000
H3 H 0.05364 0.86908 0.66813 1.00000
H4 H 0.95715 0.24523 0.84551 1.00000
H5 H 0.04285 0.75477 0.15449 1.00000
H6 H 0.53030 0.77835 0.82501 1.00000
H7 H 0.46970 0.22165 0.17499 1.00000
H8 H 0.42891 0.63648 0.31599 1.00000
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