CeZn(H4Au)2
Alexandria ALEXAlex-ID: agm007478976 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_163_spg2
Zn2Au3 CeH3 ZnAu H6Au
2024-08-14 10:14:27.936232
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007478976).
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 agm007478976
data_agm007478976
_cell_length_a 4.31387
_cell_length_b 4.99855
_cell_length_c 6.23278
_cell_angle_alpha 108.84309
_cell_angle_beta 104.59152
_cell_angle_gamma 93.32438
_cell_volume 121.65957
_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
Ce1 Ce 0.00000 0.50000 0.50000 1.00000
Zn1 Zn 0.00000 0.00000 0.00000 1.00000
H1 H 0.25017 0.17587 0.27000 1.00000
H2 H 0.16842 0.64608 0.93038 1.00000
H3 H 0.74983 0.82413 0.73000 1.00000
H4 H 0.83158 0.35392 0.06962 1.00000
H5 H 0.54878 0.41016 0.62618 1.00000
H6 H 0.45122 0.58984 0.37382 1.00000
H7 H 0.13245 0.05841 0.62172 1.00000
H8 H 0.86755 0.94159 0.37828 1.00000
Au1 Au 0.49173 0.20789 0.82176 1.00000
Au2 Au 0.50827 0.79211 0.17824 1.00000
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