Ca4H2Li2Mn4O30Si10
Ekanite · Th-free ekanite
Ekanite is a rare silicate mineral that typically forms in metamorphic environments. It is primarily recognized by mineral collectors for its distinct crystal structure and is occasionally used as a gemstone.
CaHLiMnOSi
Overview
Key Properties
Cross-validated computational properties for Ekanite, 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.
3.41 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.
0.000 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.
On hull (stable)
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
3
3 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Ca4H2Li2Mn4O30Si10, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 3.41 | 0.0000 | -7.960 | 3.26 |
| P-1 (No. 2) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 1.64 |
Uses
Applications
Where Ekanite is used.
Mineral collectingGemstone
Reference
Frequently Asked Questions
Common questions about Ekanite, answered from cross-validated data.
What is Ca4H2Li2Mn4O30Si10?
Ekanite is a rare silicate mineral that typically forms in metamorphic environments. It is primarily recognized by mineral collectors for its distinct crystal structure and is occasionally used as a gemstone.
More questions
What is Ca4H2Li2Mn4O30Si10 used for?
Ekanite (Ca4H2Li2Mn4O30Si10) is used in mineral collecting and gemstone.
What is the band gap of Ca4H2Li2Mn4O30Si10?
Ekanite (Ca4H2Li2Mn4O30Si10) has a DFT-computed band gap of 3.41 eV across 3 reported structures.
Is Ca4H2Li2Mn4O30Si10 a metal, semiconductor, or insulator?
With a wide band gap up to 3.41 eV it is an insulator / wide-band-gap material.
Is Ca4H2Li2Mn4O30Si10 thermodynamically stable?
Yes — Ekanite (Ca4H2Li2Mn4O30Si10) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Ca4H2Li2Mn4O30Si10?
The lowest-energy reported polymorph of Ekanite (Ca4H2Li2Mn4O30Si10) is triclinic symmetry, space group P-1 (No. 2).
What is the density of Ca4H2Li2Mn4O30Si10?
The computed density of the ground-state structure of Ekanite (Ca4H2Li2Mn4O30Si10) is 3.26 g/cm³.
How many polymorphs of Ca4H2Li2Mn4O30Si10 are known?
3 structures of Ca4H2Li2Mn4O30Si10 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Ca4H2Li2Mn4O30Si10 contain?
Ekanite (Ca4H2Li2Mn4O30Si10) contains Ca, H, Li, Mn, O, and Si (6 elements).
Where does the data for Ca4H2Li2Mn4O30Si10 come from?
Ca4H2Li2Mn4O30Si10 data is cross-referenced from materials_project, aflow, cod.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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