ZnCuH3
Alexandria ALEXAlex-ID: agm007406708 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_362_spg8
CuH4 Zn8Cu5 ZnH2
2024-10-15 10:07:13.297951
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007406708).
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 agm007406708
data_agm007406708
_cell_length_a 6.46255
_cell_length_b 6.46255
_cell_length_c 2.86667
_cell_angle_alpha 74.86241
_cell_angle_beta 74.86241
_cell_angle_gamma 25.21512
_cell_volume 49.14520
_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 0.30852 0.30852 0.50095 1.00000
Cu1 Cu 0.00586 0.00586 0.06959 1.00000
H1 H 0.56127 0.56127 0.82294 1.00000
H2 H 0.23446 0.23446 0.09665 1.00000
H3 H 0.88811 0.88811 0.51237 1.00000
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