Fe(CO3)2
Alexandria ALEXAlex-ID: agm005686815 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1419_spg15
FeO4 Fe2O3 CO2
2023-07-06 14:53:55.459585
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005686815).
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 agm005686815
data_agm005686815
_cell_length_a 6.21613
_cell_length_b 6.12047
_cell_length_c 6.12047
_cell_angle_alpha 89.32953
_cell_angle_beta 71.81987
_cell_angle_gamma 71.81986
_cell_volume 209.24119
_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
Fe1 Fe 0.25000 0.09006 0.90994 1.00000
Fe2 Fe 0.75000 0.90994 0.09006 1.00000
C1 C 0.28789 0.59260 0.87785 1.00000
C2 C 0.21211 0.12215 0.40740 1.00000
C3 C 0.71211 0.40740 0.12215 1.00000
C4 C 0.78789 0.87785 0.59260 1.00000
O1 O 0.48877 0.57547 0.73664 1.00000
O2 O 0.01123 0.26336 0.42453 1.00000
O3 O 0.51123 0.42453 0.26336 1.00000
O4 O 0.98877 0.73664 0.57547 1.00000
O5 O 0.72874 0.94216 0.41253 1.00000
O6 O 0.77126 0.58747 0.05784 1.00000
O7 O 0.27126 0.05784 0.58747 1.00000
O8 O 0.22874 0.41253 0.94216 1.00000
O9 O 0.13334 0.79925 0.97149 1.00000
O10 O 0.36666 0.02851 0.20075 1.00000
O11 O 0.86666 0.20075 0.02851 1.00000
O12 O 0.63334 0.97149 0.79925 1.00000
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