Cu2F12Sr4
This compound is a complex inorganic fluoride containing copper and strontium. It is primarily utilized in academic research settings to investigate the structural and magnetic properties of low-dimensional quantum spin systems.
CuFSr
Overview
Key Properties
Cross-validated computational properties for Cu2F12Sr4, 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.
0.02–1.09 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.
0.002 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.
Near hull (likely stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
4
3 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Cu2F12Sr4, 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. |
|---|---|---|---|---|---|
| Cmce (No. 64) | orthorhombic | 1.09 | 0.0021 | -10.078 | 4.37 |
| P-4b2 (No. 117) | tetragonal | 0.02 | 0.0396 | -10.040 | 4.18 |
| — | — | — | — | — | 3.86 |
| Cmce (No. 64) | — | — | — | — | — |
Uses
Applications
Where Cu2F12Sr4 is used.
Condensed matter physics researchMagnetic material studiesSolid-state chemistry synthesis
Reference
Frequently Asked Questions
Common questions about Cu2F12Sr4, answered from cross-validated data.
What is Cu2F12Sr4?
This compound is a complex inorganic fluoride containing copper and strontium. It is primarily utilized in academic research settings to investigate the structural and magnetic properties of low-dimensional quantum spin systems.
More questions
What is Cu2F12Sr4 used for?
Cu2F12Sr4 is used in condensed matter physics research, magnetic material studies, and solid-state chemistry synthesis.
What is the band gap of Cu2F12Sr4?
Cu2F12Sr4 has a DFT-computed band gap of 0.02–1.09 eV across 4 reported structures.
Is Cu2F12Sr4 a metal, semiconductor, or insulator?
With a band gap up to 1.09 eV it is a semiconductor.
Is Cu2F12Sr4 thermodynamically stable?
Cu2F12Sr4 has a lowest energy above hull of 0.002 eV/atom (near hull (likely stable)).
What is the crystal structure of Cu2F12Sr4?
The lowest-energy reported polymorph of Cu2F12Sr4 is orthorhombic symmetry, space group Cmce (No. 64).
What is the density of Cu2F12Sr4?
The computed density of the ground-state structure of Cu2F12Sr4 is 4.37 g/cm³.
How many polymorphs of Cu2F12Sr4 are known?
4 structures of Cu2F12Sr4 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Cu2F12Sr4 contain?
Cu2F12Sr4 contains Cu, F, and Sr (3 elements).
Where does the data for Cu2F12Sr4 come from?
Cu2F12Sr4 data is cross-referenced from materials_project, omat24, aflow.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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