Ca1Mg1Sb1
Ca1Mg1Sb1 is a thermodynamically stable semiconducting ternary compound known for its structural diversity.
About Ca1Mg1Sb1
Ca1Mg1Sb1 is a distinct ternary compound characterized by its semiconducting electronic nature. As a material that resides on the convex hull, it exhibits significant thermodynamic stability, making it a robust candidate for structural and functional investigations in solid-state chemistry.
Its structural versatility is highlighted by the existence of multiple reported configurations across crystallographic databases. This variety suggests a complex bonding landscape that is of great interest for researchers aiming to tune material properties through structural manipulation.
Key Properties
Cross-validated computational properties for Ca1Mg1Sb1, 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.
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.
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.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Reported Structures
Lowest-energy structures reported for Ca1Mg1Sb1, 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. |
|---|---|---|---|---|---|
| P-3m1 (No. 164) | trigonal | 0.79 | 0.0000 | -3.480 | 3.61 |
| Fmm2 (No. 42) | — | — | — | — | — |
| I4mm (No. 107) | — | — | — | — | — |
| P3m1 (No. 156) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| P3m1 (No. 156) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| I4mm (No. 107) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 2.17 |
Applications
Where Ca1Mg1Sb1 is used.
Frequently Asked Questions
Common questions about Ca1Mg1Sb1, answered from cross-validated data.
What is Ca1Mg1Sb1?
Ca1Mg1Sb1 is a thermodynamically stable semiconducting ternary compound known for its structural diversity.
What is Ca1Mg1Sb1 used for?
What is the band gap of Ca1Mg1Sb1?
Is Ca1Mg1Sb1 a metal, semiconductor, or insulator?
Is Ca1Mg1Sb1 thermodynamically stable?
What is the crystal structure of Ca1Mg1Sb1?
What is the density of Ca1Mg1Sb1?
How many polymorphs of Ca1Mg1Sb1 are known?
What elements does Ca1Mg1Sb1 contain?
Where does the data for Ca1Mg1Sb1 come from?
How It Compares
As a stand-alone entry in this specific compositional space, Ca1Mg1Sb1 serves as a foundational reference point for ternary calcium-magnesium-antimonides, providing a stable baseline for exploring the electronic and structural trends of similar alkaline-earth pnictides.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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