Zn(CuH2)4
Alexandria ALEXAlex-ID: agm007337828 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_133_spg2
CuH4 Zn8Cu5 Cu
2024-08-08 00:06:05.757717
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007337828).
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 agm007337828
data_agm007337828
_cell_length_a 5.15373
_cell_length_b 5.15373
_cell_length_c 6.26270
_cell_angle_alpha 63.74137
_cell_angle_beta 63.74137
_cell_angle_gamma 55.41156
_cell_volume 118.61791
_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
Zn1 Zn 0.50000 0.50000 0.50000 1.00000
Cu1 Cu 0.25224 0.74776 0.00000 1.00000
Cu2 Cu 0.74776 0.25224 0.00000 1.00000
Cu3 Cu 0.20611 0.20611 0.56380 1.00000
Cu4 Cu 0.79389 0.79389 0.43620 1.00000
H1 H 0.42564 0.93355 0.38769 1.00000
H2 H 0.93355 0.42564 0.38769 1.00000
H3 H 0.43130 0.43130 0.88307 1.00000
H4 H 0.99382 0.99382 0.81592 1.00000
H5 H 0.00618 0.00618 0.18408 1.00000
H6 H 0.56870 0.56870 0.11693 1.00000
H7 H 0.06645 0.57436 0.61231 1.00000
H8 H 0.57436 0.06645 0.61231 1.00000
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