Hg2Pb1Sr1
This material is a complex intermetallic compound composed of mercury, lead, and strontium. It is primarily studied within the field of condensed matter physics for its unique structural properties and electronic behavior.
HgPbSr
Overview
Key Properties
Cross-validated computational properties for Hg2Pb1Sr1, aggregated across 2 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.
0.40 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.
27
2 databases, 17 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Hg2Pb1Sr1, 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. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 0.00 | 0.0000 | -1.910 | 10.23 |
| Immm (No. 71) | orthorhombic | 0.40 | 1.2067 | -0.703 | 0.78 |
| Imm2 (No. 44) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Cmm2 (No. 35) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
Uses
Applications
Where Hg2Pb1Sr1 is used.
Scientific researchMaterials science studies
Reference
Frequently Asked Questions
Common questions about Hg2Pb1Sr1, answered from cross-validated data.
What is Hg2Pb1Sr1?
This material is a complex intermetallic compound composed of mercury, lead, and strontium. It is primarily studied within the field of condensed matter physics for its unique structural properties and electronic behavior.
More questions
What is Hg2Pb1Sr1 used for?
Hg2Pb1Sr1 is used in scientific research and materials science studies.
What is the band gap of Hg2Pb1Sr1?
Hg2Pb1Sr1 has a DFT-computed band gap of 0.40 eV across 27 reported structures.
Is Hg2Pb1Sr1 a metal, semiconductor, or insulator?
With a band gap up to 0.40 eV it is a semiconductor.
Is Hg2Pb1Sr1 thermodynamically stable?
Yes — Hg2Pb1Sr1 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Hg2Pb1Sr1?
The lowest-energy reported polymorph of Hg2Pb1Sr1 is cubic symmetry, space group Fm-3m (No. 225).
What is the density of Hg2Pb1Sr1?
The computed density of the ground-state structure of Hg2Pb1Sr1 is 10.23 g/cm³.
How many polymorphs of Hg2Pb1Sr1 are known?
27 structures of Hg2Pb1Sr1 are reported across 2 databases, spanning 17 distinct space groups.
What elements does Hg2Pb1Sr1 contain?
Hg2Pb1Sr1 contains Hg, Pb, and Sr (3 elements).
Where does the data for Hg2Pb1Sr1 come from?
Hg2Pb1Sr1 data is cross-referenced from materials_project, aflow.
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).
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