SrMn(CO3)2
Alexandria ALEXAlex-ID: agm002201992 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_29_spg148
MnCO3 SrCO3
2018-07-09 15:42:34
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002201992).
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 agm002201992
data_agm002201992
_cell_length_a 5.04698
_cell_length_b 5.04375
_cell_length_c 6.41505
_cell_angle_alpha 66.90216
_cell_angle_beta 66.85387
_cell_angle_gamma 60.00465
_cell_volume 126.05231
_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
Sr1 Sr 0.00000 0.00000 0.00000 1.00000
C1 C 0.75803 0.75809 0.72645 1.00000
C2 C 0.24197 0.24191 0.27355 1.00000
Mn1 Mn 0.50000 0.50000 0.50000 1.00000
O1 O 0.03228 0.52236 0.73067 1.00000
O2 O 0.52247 0.71542 0.73031 1.00000
O3 O 0.28459 0.96732 0.26981 1.00000
O4 O 0.96772 0.47764 0.26933 1.00000
O5 O 0.47753 0.28458 0.26969 1.00000
O6 O 0.71541 0.03268 0.73019 1.00000
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