Na2CoH4(CO2)4
Alexandria ALEXAlex-ID: agm006221065 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4D4E8_7_spg15
NaHCO3 CoCO3 H2O C Co
2024-02-12 14:23:32
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006221065).
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 agm006221065
data_agm006221065
_cell_length_a 9.12900
_cell_length_b 9.12900
_cell_length_c 6.82769
_cell_angle_alpha 75.37049
_cell_angle_beta 75.37049
_cell_angle_gamma 58.62316
_cell_volume 464.97347
_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
Na1 Na 0.69882 0.50569 0.81817 1.00000
Na2 Na 0.49431 0.30118 0.68183 1.00000
Na3 Na 0.30118 0.49431 0.18183 1.00000
Na4 Na 0.50569 0.69882 0.31817 1.00000
C1 C 0.75555 0.86318 0.81554 1.00000
C2 C 0.13682 0.24445 0.68446 1.00000
C3 C 0.24445 0.13682 0.18446 1.00000
C4 C 0.86318 0.75555 0.31554 1.00000
C5 C 0.19221 0.63892 0.64021 1.00000
C6 C 0.36108 0.80779 0.85979 1.00000
C7 C 0.80779 0.36108 0.35979 1.00000
C8 C 0.63892 0.19221 0.14021 1.00000
Co1 Co 0.00000 0.50000 0.00000 1.00000
Co2 Co 0.50000 0.00000 0.50000 1.00000
O1 O 0.19827 0.54794 0.81735 1.00000
O2 O 0.45206 0.80173 0.68265 1.00000
O3 O 0.80173 0.45206 0.18265 1.00000
O4 O 0.54794 0.19827 0.31735 1.00000
O5 O 0.80281 0.70372 0.83087 1.00000
O6 O 0.29628 0.19719 0.66913 1.00000
O7 O 0.19719 0.29628 0.16913 1.00000
O8 O 0.70372 0.80281 0.33087 1.00000
O9 O 0.64624 0.98790 0.70660 1.00000
O10 O 0.01210 0.35376 0.79340 1.00000
O11 O 0.35376 0.01210 0.29340 1.00000
O12 O 0.98790 0.64624 0.20660 1.00000
O13 O 0.30492 0.58946 0.48583 1.00000
O14 O 0.41054 0.69508 0.01417 1.00000
O15 O 0.69508 0.41054 0.51417 1.00000
O16 O 0.58946 0.30492 0.98583 1.00000
H1 H 0.07925 0.77235 0.62311 1.00000
H2 H 0.22765 0.92075 0.87689 1.00000
H3 H 0.92075 0.22765 0.37689 1.00000
H4 H 0.77235 0.07925 0.12311 1.00000
H5 H 0.81616 0.89878 0.90396 1.00000
H6 H 0.10122 0.18384 0.59604 1.00000
H7 H 0.18384 0.10122 0.09604 1.00000
H8 H 0.89878 0.81616 0.40396 1.00000
