HO5SSm
HO5SSm is a stable, wide-band-gap insulating compound composed of samarium, sulfur, oxygen, and hydrogen.
About HO5SSm
HO5SSm is a distinct inorganic compound characterized by its insulating electronic nature and wide band gap. As a thermodynamically stable phase residing on the convex hull, it represents a robust configuration of samarium, sulfur, oxygen, and hydrogen atoms.
Its structural integrity makes it a subject of interest for researchers investigating stable solid-state materials. The compound's specific arrangement of elements suggests potential utility in specialized dielectric or electronic applications where stable insulators are required.
Key Properties
Cross-validated computational properties for HO5SSm, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of HO5SSm. Tight agreement means computed properties can be trusted without re-running calculations.
Only 1 independent DFT source (materials_project) reports a hull energy for HO5SSm, so cross-source agreement can't be assessed yet.
Reported Structures
Lowest-energy structures reported for HO5SSm, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 5.66 | 0.0000 | -7.148 | 4.80 |
| P21/c (No. 14) | monoclinic | — | — | — | 4.93 |
| P21/c (No. 14) | monoclinic | — | — | 0.000 | — |
Frequently Asked Questions
Common questions about HO5SSm, answered from cross-validated data.
What is HO5SSm?
HO5SSm is a stable, wide-band-gap insulating compound composed of samarium, sulfur, oxygen, and hydrogen.
What is the band gap of HO5SSm?
Is HO5SSm a metal, semiconductor, or insulator?
Is HO5SSm thermodynamically stable?
What is the crystal structure of HO5SSm?
What is the density of HO5SSm?
How many polymorphs of HO5SSm are known?
What elements does HO5SSm contain?
Where does the data for HO5SSm come from?
How It Compares
As a thermodynamically stable member of its chemical family, HO5SSm occupies a favorable position on the convex hull, indicating a high degree of structural reliability compared to metastable phases that may decompose under standard conditions.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- nomad — Data from NOMAD (nomad-lab.eu). Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019). (CC-BY-4.0)
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