Ca1Na2Sr1
This intermetallic compound is composed of calcium, sodium, and strontium. It is primarily studied in fundamental materials science research to understand complex alloy structures and phase behavior.
CaNaSr
Overview
Key Properties
Cross-validated computational properties for Ca1Na2Sr1, 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.
0.37 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.
0.955 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.
Above hull
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
26
2 databases, 15 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Ca1Na2Sr1, 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. |
|---|---|---|---|---|---|
| Immm (No. 71) | orthorhombic | 0.37 | 0.9546 | -6.373 | 0.13 |
| C2/m (No. 12) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
Uses
Applications
Where Ca1Na2Sr1 is used.
Materials science researchSolid-state chemistry studies
Reference
Frequently Asked Questions
Common questions about Ca1Na2Sr1, answered from cross-validated data.
What is Ca1Na2Sr1?
This intermetallic compound is composed of calcium, sodium, and strontium. It is primarily studied in fundamental materials science research to understand complex alloy structures and phase behavior.
More questions
What is Ca1Na2Sr1 used for?
Ca1Na2Sr1 is used in materials science research and solid-state chemistry studies.
What is the band gap of Ca1Na2Sr1?
Ca1Na2Sr1 has a DFT-computed band gap of 0.37 eV across 26 reported structures.
Is Ca1Na2Sr1 a metal, semiconductor, or insulator?
With a band gap up to 0.37 eV it is a semiconductor.
Is Ca1Na2Sr1 thermodynamically stable?
Ca1Na2Sr1 has a lowest energy above hull of 0.955 eV/atom (above hull).
What is the crystal structure of Ca1Na2Sr1?
The lowest-energy reported polymorph of Ca1Na2Sr1 is orthorhombic symmetry, space group Immm (No. 71).
What is the density of Ca1Na2Sr1?
The computed density of the ground-state structure of Ca1Na2Sr1 is 0.13 g/cm³.
How many polymorphs of Ca1Na2Sr1 are known?
26 structures of Ca1Na2Sr1 are reported across 2 databases, spanning 15 distinct space groups.
What elements does Ca1Na2Sr1 contain?
Ca1Na2Sr1 contains Ca, Na, and Sr (3 elements).
Where does the data for Ca1Na2Sr1 come from?
Ca1Na2Sr1 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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