Mn(CO3)2
Alexandria ALEXAlex-ID: agm005258257 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1660_spg70
MnO2 CO2
2023-05-07 13:58:32.740481
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005258257).
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 agm005258257
data_agm005258257
_cell_length_a 5.20785
_cell_length_b 5.20785
_cell_length_c 10.61254
_cell_angle_alpha 68.81903
_cell_angle_beta 68.81903
_cell_angle_gamma 61.74456
_cell_volume 229.97570
_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
Mn1 Mn 0.62499 0.37501 0.75000 1.00000
Mn2 Mn 0.37501 0.62499 0.25000 1.00000
C1 C 0.08520 0.83519 0.82956 1.00000
C2 C 0.16481 0.91480 0.67044 1.00000
C3 C 0.91480 0.16481 0.17044 1.00000
C4 C 0.83519 0.08520 0.32956 1.00000
O1 O 0.26541 0.59532 0.89018 1.00000
O2 O 0.40468 0.73459 0.60982 1.00000
O3 O 0.73459 0.40468 0.10982 1.00000
O4 O 0.59532 0.26541 0.39018 1.00000
O5 O 0.84431 0.01440 0.89018 1.00000
O6 O 0.98560 0.15569 0.60982 1.00000
O7 O 0.15569 0.98560 0.10982 1.00000
O8 O 0.01440 0.84431 0.39018 1.00000
O9 O 0.82016 0.57018 0.75003 1.00000
O10 O 0.42982 0.17984 0.74997 1.00000
O11 O 0.17984 0.42982 0.24997 1.00000
O12 O 0.57018 0.82016 0.25003 1.00000
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