Cu2MoH8Au
Alexandria ALEXAlex-ID: agm007757416 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_1972_spg8
CuH4 MoH Cu2Au5 CuAu6
2024-02-09 14:39:48
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007757416).
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 agm007757416
data_agm007757416
_cell_length_a 4.91277
_cell_length_b 4.91403
_cell_length_c 8.03011
_cell_angle_alpha 79.03214
_cell_angle_beta 89.41274
_cell_angle_gamma 44.61586
_cell_volume 131.44847
_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
Cu1 Cu 0.77348 0.10707 0.41779 1.00000
Cu2 Cu 0.44148 0.55879 0.62973 1.00000
Mo1 Mo 0.09820 0.33616 0.51194 1.00000
H1 H 0.29370 0.93917 0.10004 1.00000
H2 H 0.31226 0.33935 0.71536 1.00000
H3 H 0.18864 0.87194 0.07340 1.00000
H4 H 0.32813 0.31950 0.33632 1.00000
H5 H 0.61064 0.77295 0.58530 1.00000
H6 H 0.95896 0.09172 0.61229 1.00000
H7 H 0.89745 0.74658 0.33627 1.00000
H8 H 0.90386 0.33503 0.32058 1.00000
Au1 Au 0.19322 0.08174 0.86097 1.00000
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