In8O12
In8O12 has a DFT band gap of 0.22–0.96 eV across 14 reported structures in 6 space groups; its lowest-energy polymorph is cubic (Ia-3 (No. 206)). Cross-validated across 3 computational databases.
At a glance
Key Properties
Cross-validated computational properties for In8O12, 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.
0.22–0.96 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.
14
3 databases, 6 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for In8O12, 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. |
|---|---|---|---|---|---|
| Ia-3 (No. 206) | cubic | 0.63 | 0.0000 | -6.067 | 7.00 |
| R-3c (No. 167) | trigonal | 0.96 | 0.0207 | -6.046 | 7.19 |
| Pbca (No. 61) | orthorhombic | 0.88 | 0.0311 | -6.035 | 7.32 |
| Pbcn (No. 60) | orthorhombic | 0.76 | 0.0378 | -6.029 | 7.43 |
| Pnma (No. 62) | orthorhombic | 0.58 | 0.2436 | -5.823 | 7.59 |
| Pnma (No. 62) | orthorhombic | 0.22 | 0.2462 | -5.820 | 7.62 |
| P1 (No. 1) | triclinic | 0.68 | 0.4124 | -5.654 | 6.22 |
| P1 (No. 1) | triclinic | 0.67 | 0.5817 | -5.485 | 6.05 |
| P1 (No. 1) | triclinic | 0.00 | 0.6235 | -5.443 | 6.02 |
| Pnma (No. 62) | — | — | — | — | — |
| Pnma (No. 62) | — | — | — | — | — |
| Pnma (No. 62) | — | — | — | — | — |
Reference
Frequently Asked Questions
Common questions about In8O12, answered from cross-validated data.
What is the band gap of In8O12?
In8O12 has a DFT-computed band gap of 0.22–0.96 eV across 14 reported structures.
More questions
Is In8O12 a metal, semiconductor, or insulator?
With a band gap up to 0.96 eV it is a semiconductor.
Is In8O12 thermodynamically stable?
Yes — In8O12 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of In8O12?
The lowest-energy reported polymorph of In8O12 is cubic symmetry, space group Ia-3 (No. 206).
What is the density of In8O12?
The computed density of the ground-state structure of In8O12 is 7.00 g/cm³.
How many polymorphs of In8O12 are known?
14 structures of In8O12 are reported across 3 databases, spanning 6 distinct space groups.
What elements does In8O12 contain?
In8O12 contains In and O (2 elements).
Where does the data for In8O12 come from?
In8O12 data is cross-referenced from materials_project, aflow, omat24.
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Related Compounds
Other Wide-Bandgap Oxide Semiconductors in the database.
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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