Co2MoH8Au
Alexandria ALEXAlex-ID: agm007757241 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_39_spg2
MoH CoH Au H6Au
2024-03-05 21:02:11.130772
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007757241).
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 agm007757241
data_agm007757241
_cell_length_a 2.73896
_cell_length_b 4.83900
_cell_length_c 7.31359
_cell_angle_alpha 85.29548
_cell_angle_beta 91.04717
_cell_angle_gamma 73.75785
_cell_volume 92.66467
_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
Co1 Co 0.70722 0.06441 0.34481 1.00000
Co2 Co 0.29278 0.93559 0.65519 1.00000
Mo1 Mo 0.00000 0.50000 0.50000 1.00000
H1 H 0.67820 0.14693 0.56537 1.00000
H2 H 0.87246 0.74156 0.27083 1.00000
H3 H 0.32180 0.85307 0.43463 1.00000
H4 H 0.15051 0.14904 0.21162 1.00000
H5 H 0.84949 0.85096 0.78838 1.00000
H6 H 0.52468 0.42669 0.31711 1.00000
H7 H 0.47532 0.57331 0.68289 1.00000
H8 H 0.12754 0.25844 0.72917 1.00000
Au1 Au 0.00000 0.00000 0.00000 1.00000
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