Cu(CO)4
Alexandria ALEXAlex-ID: agm005283028 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C4_134_spg15
Cu CO2 C
2023-05-07 12:55:49.923621
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005283028).
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 agm005283028
data_agm005283028
_cell_length_a 7.04501
_cell_length_b 7.04501
_cell_length_c 5.83742
_cell_angle_alpha 70.68832
_cell_angle_beta 70.68832
_cell_angle_gamma 79.59844
_cell_volume 257.21227
_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 0.08475 0.91525 0.25000 1.00000
Cu2 Cu 0.91525 0.08475 0.75000 1.00000
C1 C 0.64119 0.97235 0.37948 1.00000
C2 C 0.56743 0.05281 0.60039 1.00000
C3 C 0.05281 0.56743 0.10039 1.00000
C4 C 0.02765 0.35881 0.12052 1.00000
C5 C 0.97235 0.64119 0.87948 1.00000
C6 C 0.94719 0.43257 0.89961 1.00000
C7 C 0.43257 0.94719 0.39961 1.00000
C8 C 0.35881 0.02765 0.62052 1.00000
O1 O 0.19267 0.06247 0.77637 1.00000
O2 O 0.12219 0.63673 0.22589 1.00000
O3 O 0.87781 0.36327 0.77411 1.00000
O4 O 0.36327 0.87781 0.27411 1.00000
O5 O 0.80733 0.93753 0.22363 1.00000
O6 O 0.93753 0.80733 0.72363 1.00000
O7 O 0.06247 0.19267 0.27637 1.00000
O8 O 0.63673 0.12219 0.72589 1.00000
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