Cu2CO5
Malachite · basic copper carbonate
Malachite is a green copper carbonate hydroxide mineral that forms in the weathering zones of copper deposits. It has been used historically as a pigment in paints and as an ornamental stone for decorative carvings and jewelry.
CCuO
Overview
Key Properties
Cross-validated computational properties for Malachite, aggregated across 3 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.
0.03 eV
Range across DFT structures
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.
0.119 eV/atom
Best (lowest) across sources
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.
Above hull
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
19
3 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Cu2CO5, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 0.01 | 0.1189 | -6.354 | 4.31 |
| P21/c (No. 14) | monoclinic | 0.03 | 0.1264 | -6.347 | 4.29 |
| No. 0 | unknown | — | — | — | 1.06 |
| P21/c (No. 14) | Monoclinic | — | — | — | 4.41 |
| P21/c (No. 14) | Monoclinic | — | — | — | 4.58 |
| P21/c (No. 14) | Monoclinic | — | — | — | 4.31 |
| P21/c (No. 14) | Monoclinic | — | — | — | 4.61 |
| P21/c (No. 14) | Monoclinic | — | — | — | 4.29 |
| No. 0 | unknown | — | — | — | 1.06 |
| No. 0 | unknown | — | — | — | 1.12 |
| No. 0 | unknown | — | — | — | 1.00 |
| No. 0 | unknown | — | — | — | 1.09 |
Uses
Applications
Where Malachite is used.
pigment productionornamental stone carvingjewelry makingcopper ore processing
Reference
Frequently Asked Questions
Common questions about Malachite, answered from cross-validated data.
What is Cu2CO5?
Malachite is a green copper carbonate hydroxide mineral that forms in the weathering zones of copper deposits. It has been used historically as a pigment in paints and as an ornamental stone for decorative carvings and jewelry.
More questions
What is Cu2CO5 used for?
Malachite (Cu2CO5) is used in pigment production, ornamental stone carving, jewelry making, and copper ore processing.
What is the band gap of Cu2CO5?
Malachite (Cu2CO5) has a DFT-computed band gap of 0.03 eV across 19 reported structures.
Is Cu2CO5 a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is Cu2CO5 thermodynamically stable?
Malachite (Cu2CO5) has a lowest energy above hull of 0.119 eV/atom (above hull).
What is the crystal structure of Cu2CO5?
The lowest-energy reported polymorph of Malachite (Cu2CO5) is monoclinic symmetry, space group P21/c (No. 14).
What is the density of Cu2CO5?
The computed density of the ground-state structure of Malachite (Cu2CO5) is 4.31 g/cm³.
How many polymorphs of Cu2CO5 are known?
19 structures of Cu2CO5 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Cu2CO5 contain?
Malachite (Cu2CO5) contains C, Cu, and O (3 elements).
Where does the data for Cu2CO5 come from?
Cu2CO5 data is cross-referenced from materials_project, cod, mpaloe.
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).
- mpaloe — Data from mpaloe.
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