C8Mg4Na12O32S2
This complex inorganic compound is a multi-element salt containing magnesium, sodium, carbon, oxygen, and sulfur. It is typically studied in the context of specialized chemical synthesis or as a component in advanced materials research.
CMgNaOS
Overview
Key Properties
Cross-validated computational properties for C8Mg4Na12O32S2, 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.
3.77–4.58 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)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
6
3 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for C8Mg4Na12O32S2, 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. |
|---|---|---|---|---|---|
| Fd-3 (No. 203) | cubic | 4.58 | 0.0000 | -6.785 | 2.63 |
| Fd-3m (No. 227) | cubic | 3.77 | 0.0290 | -6.756 | 2.53 |
| Fd-3 (No. 203) | — | — | — | — | — |
| Fd-3 (No. 203) | — | — | — | — | — |
| Fd-3m (No. 227) | — | — | — | — | — |
| — | — | — | — | — | 1.70 |
Uses
Applications
Where C8Mg4Na12O32S2 is used.
Materials science researchChemical synthesisLaboratory reagent
Reference
Frequently Asked Questions
Common questions about C8Mg4Na12O32S2, answered from cross-validated data.
What is C8Mg4Na12O32S2?
This complex inorganic compound is a multi-element salt containing magnesium, sodium, carbon, oxygen, and sulfur. It is typically studied in the context of specialized chemical synthesis or as a component in advanced materials research.
More questions
What is C8Mg4Na12O32S2 used for?
C8Mg4Na12O32S2 is used in materials science research, chemical synthesis, and laboratory reagent.
What is the band gap of C8Mg4Na12O32S2?
C8Mg4Na12O32S2 has a DFT-computed band gap of 3.77–4.58 eV across 6 reported structures.
Is C8Mg4Na12O32S2 a metal, semiconductor, or insulator?
With a wide band gap up to 4.58 eV it is an insulator / wide-band-gap material.
Is C8Mg4Na12O32S2 thermodynamically stable?
Yes — C8Mg4Na12O32S2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of C8Mg4Na12O32S2?
The lowest-energy reported polymorph of C8Mg4Na12O32S2 is cubic symmetry, space group Fd-3 (No. 203).
What is the density of C8Mg4Na12O32S2?
The computed density of the ground-state structure of C8Mg4Na12O32S2 is 2.63 g/cm³.
How many polymorphs of C8Mg4Na12O32S2 are known?
6 structures of C8Mg4Na12O32S2 are reported across 3 databases, spanning 2 distinct space groups.
What elements does C8Mg4Na12O32S2 contain?
C8Mg4Na12O32S2 contains C, Mg, Na, O, and S (5 elements).
Where does the data for C8Mg4Na12O32S2 come from?
C8Mg4Na12O32S2 data is cross-referenced from materials_project, aflow, omat24.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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