Ge3Te3
Ge3Te3 has a DFT band gap of 0.15–2.18 eV across 16 reported structures in 7 space groups; its lowest-energy polymorph is trigonal (R3m (No. 160)). Cross-validated across 4 computational databases.
At a glance
Key Properties
Cross-validated computational properties for Ge3Te3, 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.
0.15–2.18 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.
16
4 databases, 7 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Ge3Te3, 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. |
|---|---|---|---|---|---|
| R3m (No. 160) | trigonal | 0.56 | 0.0000 | -19.680 | 5.95 |
| Fm-3m (No. 225) | cubic | 0.41 | 0.0203 | -19.660 | 6.13 |
| Pnma (No. 62) | orthorhombic | 0.15 | 0.0280 | -19.652 | 5.57 |
| Pbcn (No. 60) | orthorhombic | 0.00 | 0.1145 | -19.566 | 4.40 |
| R3m (No. 160) | trigonal | 0.70 | 0.1257 | -19.554 | 5.01 |
| Pm-3m (No. 221) | cubic | 0.00 | 0.3256 | -19.354 | 6.54 |
| Cm (No. 8) | monoclinic | 2.18 | 0.8065 | -18.874 | 0.60 |
| R3m (No. 160) | — | 0.72 | — | — | — |
| No. 0 | unknown | — | — | — | 1.55 |
| No. 0 | unknown | — | — | — | 1.53 |
| No. 0 | unknown | — | — | — | 0.51 |
| No. 0 | unknown | — | — | — | 1.52 |
Reference
Frequently Asked Questions
Common questions about Ge3Te3, answered from cross-validated data.
What is the band gap of Ge3Te3?
Ge3Te3 has a DFT-computed band gap of 0.15–2.18 eV across 16 reported structures.
More questions
Is Ge3Te3 a metal, semiconductor, or insulator?
With a band gap up to 2.18 eV it is a semiconductor.
Is Ge3Te3 thermodynamically stable?
Yes — Ge3Te3 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Ge3Te3?
The lowest-energy reported polymorph of Ge3Te3 is trigonal symmetry, space group R3m (No. 160).
What is the density of Ge3Te3?
The computed density of the ground-state structure of Ge3Te3 is 5.95 g/cm³.
How many polymorphs of Ge3Te3 are known?
16 structures of Ge3Te3 are reported across 4 databases, spanning 7 distinct space groups.
What elements does Ge3Te3 contain?
Ge3Te3 contains Ge and Te (2 elements).
Where does the data for Ge3Te3 come from?
Ge3Te3 data is cross-referenced from materials_project, nomad, cod, aflow.
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Related Compounds
Other Phase-Change Memory Materials in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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