CuH6C
Alexandria ALEXAlex-ID: agm080821283 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_2194_spg1
H4C Cu CuH4
2025-06-26 14:51:58
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm080821283).
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 agm080821283
data_agm080821283
_cell_length_a 4.95325
_cell_length_b 3.76824
_cell_length_c 3.97811
_cell_angle_alpha 98.92795
_cell_angle_beta 96.11559
_cell_angle_gamma 100.08055
_cell_volume 71.53403
_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 0.56297 0.38242 0.43682 1.00000
H1 H 0.56517 0.86854 0.71876 1.00000
H2 H 0.32118 0.05518 0.22364 1.00000
H3 H 0.29844 0.76796 0.20308 1.00000
H4 H 0.30521 0.52351 0.20632 1.00000
H5 H 0.76899 0.85283 0.33968 1.00000
H6 H 0.93602 0.05574 0.77398 1.00000
C1 C 0.74204 0.99382 0.59771 1.00000
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