CaZn2H8Au
Alexandria ALEXAlex-ID: agm007168183 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_1196_spg1
Zn2Au CaH10 CaH2
2024-01-28 12:04:40.433691
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007168183).
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 agm007168183
data_agm007168183
_cell_length_a 3.59345
_cell_length_b 5.57448
_cell_length_c 7.25703
_cell_angle_alpha 64.38910
_cell_angle_beta 75.36512
_cell_angle_gamma 75.18276
_cell_volume 125.03298
_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
Ca1 Ca 0.50000 0.00000 0.50000 1.00000
Zn1 Zn 0.92961 0.46350 0.24245 1.00000
Zn2 Zn 0.07039 0.53650 0.75755 1.00000
H1 H 0.87685 0.26324 0.49836 1.00000
H2 H 0.03266 0.19170 0.13788 1.00000
H3 H 0.12315 0.73676 0.50164 1.00000
H4 H 0.73175 0.80819 0.22258 1.00000
H5 H 0.26825 0.19181 0.77742 1.00000
H6 H 0.44325 0.44151 0.21573 1.00000
H7 H 0.55675 0.55849 0.78427 1.00000
H8 H 0.96734 0.80830 0.86212 1.00000
Au1 Au 0.00000 0.00000 0.00000 1.00000
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