MnCO3
Rhodochrosite · manganese carbonate
Rhodochrosite is a naturally occurring mineral composed of manganese carbonate that often displays a distinct pink or red coloration. It serves as a primary source of manganese for industrial processes and is also highly valued as a decorative gemstone and collector mineral.
Key Properties
Cross-validated computational properties for Rhodochrosite, aggregated across 4 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Reported Structures
Lowest-energy structures reported for MnCO3, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| R-3c (No. 167) | trigonal | 3.23 | 0.0000 | -8.660 | 3.74 |
| P2/c (No. 13) | monoclinic | 3.80 | 0.0299 | -8.630 | 3.42 |
| P-1 (No. 2) | triclinic | 3.08 | 0.0303 | -8.630 | 3.42 |
| R-3 (No. 148) | trigonal | 1.25 | 0.0740 | -8.081 | 3.32 |
| Cc (No. 9) | monoclinic | 3.45 | 0.0814 | -8.579 | 3.41 |
| P21/c (No. 14) | monoclinic | 1.28 | 0.1015 | -8.053 | 2.82 |
| P21/c (No. 14) | monoclinic | 0.01 | 0.1168 | -8.038 | 2.80 |
| P21/c (No. 14) | monoclinic | 0.16 | 0.2725 | -8.388 | 3.47 |
| C2/c (No. 15) | monoclinic | 1.04 | 0.5027 | -7.652 | 1.80 |
| P212121 (No. 19) | orthorhombic | 0.49 | 0.5928 | -7.562 | 2.52 |
| C2/c (No. 15) | monoclinic | 0.00 | 0.6420 | -7.513 | 2.70 |
| P212121 (No. 19) | orthorhombic | 0.53 | 0.7448 | -7.410 | 3.10 |
Applications
Where Rhodochrosite is used.
Frequently Asked Questions
Common questions about Rhodochrosite, answered from cross-validated data.
What is MnCO3?
Rhodochrosite is a naturally occurring mineral composed of manganese carbonate that often displays a distinct pink or red coloration. It serves as a primary source of manganese for industrial processes and is also highly valued as a decorative gemstone and collector mineral.
What is MnCO3 used for?
What is the band gap of MnCO3?
Is MnCO3 a metal, semiconductor, or insulator?
Is MnCO3 thermodynamically stable?
What is the crystal structure of MnCO3?
What is the density of MnCO3?
How many polymorphs of MnCO3 are known?
What elements does MnCO3 contain?
Where does the data for MnCO3 come from?
Related Compounds
Other Oxide Oxygen-Evolution Catalysts in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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