material
EuSb2
ID:
mp-611062
DOI:
10.17188/1277695
Final Magnetic Moment-13.889 μBCalculated total magnetic moment for the unit cell within the magnetic ordering provided (see below). Typically accurate to the second digit. |
Magnetic OrderingFM |
Formation Energy / Atom-0.708 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.000 eVThe energy of decomposition of this material into the set of most stable materials at this chemical composition, in eV/atom. Stability is tested against all potential chemical combinations that result in the material's composition. For example, a Co2O3 structure would be tested for decomposition against other Co2O3 structures, against Co and O2 mixtures, and against CoO and O2 mixtures. |
Density7.40 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToStable |
Band Gap0.000 eVIn general, band gaps computed with common exchange-correlation functionals such as the LDA and GGA are severely underestimated. Typically the disagreement is reported to be ~50% in the literature. Some internal testing by the Materials Project supports these statements; typically, we find that band gaps are underestimated by ~40%. We additionally find that several known insulators are predicted to be metallic. |
Hermann MauguinP21/m [11] |
Hall-P 2yb |
Point Group2/m |
Crystal Systemmonoclinic |
Band Structure
Density of States
sign indicates spin ↑ ↓
X-Ray Diffraction
-
Select radiation source:
- Cu
- Ag
- Mo
- Fe
Calculated powder diffraction pattern; note that peak spacings may be affected due to inaccuracies in calculated cell volume, which is typically overestimated on average by 3% (+/- 6%)
X-Ray Absorption Spectra
Select an element to display a spectrum averaged over all sites of that element in the structure.
Apply Gaussian smoothing:
Download spectra for every symmetrically equivalent absorption site in the structure.
Download FEFF Input parameters.
Substrates
Reference for minimal coincident interface area (MCIA) and elastic energy:substrate orientation:
| substrate material | substrate orientation | film orientation | MCIA† [Å2] |
|---|---|---|---|
| LaAlO3 (mp-2920) | <1 1 0> | <0 0 1> | 123.9 |
| LaAlO3 (mp-2920) | <0 0 1> | <0 0 1> | 123.9 |
| LaAlO3 (mp-2920) | <1 0 0> | <1 0 1> | 145.4 |
| LaAlO3 (mp-2920) | <1 1 1> | <0 0 1> | 123.9 |
| AlN (mp-661) | <1 0 1> | <0 0 1> | 165.1 |
| AlN (mp-661) | <1 1 0> | <0 0 1> | 227.1 |
| CeO2 (mp-20194) | <1 1 0> | <1 0 1> | 290.8 |
| AlN (mp-661) | <0 0 1> | <0 0 1> | 185.8 |
| AlN (mp-661) | <1 0 0> | <0 0 1> | 206.4 |
| AlN (mp-661) | <1 1 1> | <0 1 1> | 225.8 |
| CeO2 (mp-20194) | <1 0 0> | <1 0 0> | 156.6 |
| BaF2 (mp-1029) | <1 1 0> | <0 0 1> | 165.1 |
| BaF2 (mp-1029) | <1 1 1> | <0 0 1> | 206.4 |
| GaAs (mp-2534) | <1 0 0> | <1 0 0> | 156.6 |
| GaAs (mp-2534) | <1 1 0> | <0 0 1> | 185.8 |
| BaF2 (mp-1029) | <1 0 0> | <1 0 1> | 193.9 |
| GaN (mp-804) | <1 0 0> | <0 1 0> | 120.5 |
| GaN (mp-804) | <1 0 1> | <0 0 1> | 185.8 |
| GaN (mp-804) | <1 1 0> | <0 1 1> | 225.8 |
| GaN (mp-804) | <1 1 1> | <1 0 1> | 242.4 |
| SiO2 (mp-6930) | <0 0 1> | <1 0 0> | 156.6 |
| SiO2 (mp-6930) | <1 1 1> | <1 0 0> | 156.6 |
| GaN (mp-804) | <0 0 1> | <1 0 1> | 145.4 |
| KCl (mp-23193) | <1 1 1> | <0 0 1> | 206.4 |
| SiO2 (mp-6930) | <1 0 0> | <0 0 1> | 227.1 |
| SiO2 (mp-6930) | <1 0 1> | <1 1 -1> | 282.0 |
| SiO2 (mp-6930) | <1 1 0> | <0 0 1> | 144.5 |
| KCl (mp-23193) | <1 0 0> | <1 1 -1> | 282.0 |
| KCl (mp-23193) | <1 1 0> | <0 0 1> | 165.1 |
| DyScO3 (mp-31120) | <1 0 1> | <1 0 1> | 339.3 |
| InAs (mp-20305) | <1 1 1> | <0 0 1> | 206.4 |
| DyScO3 (mp-31120) | <0 0 1> | <0 0 1> | 289.0 |
| DyScO3 (mp-31120) | <1 0 0> | <0 0 1> | 227.1 |
| DyScO3 (mp-31120) | <1 1 0> | <1 0 1> | 242.4 |
| InAs (mp-20305) | <1 0 0> | <1 0 1> | 193.9 |
| InAs (mp-20305) | <1 1 0> | <0 0 1> | 165.1 |
| ZnSe (mp-1190) | <1 0 0> | <1 0 0> | 156.6 |
| ZnSe (mp-1190) | <1 1 0> | <0 0 1> | 185.8 |
| KTaO3 (mp-3614) | <1 0 0> | <1 0 -1> | 79.2 |
| KTaO3 (mp-3614) | <1 1 0> | <0 0 1> | 185.8 |
| KTaO3 (mp-3614) | <1 1 1> | <1 1 1> | 314.7 |
| CdS (mp-672) | <1 0 0> | <1 0 1> | 242.4 |
| CdS (mp-672) | <1 0 1> | <0 0 1> | 289.0 |
| CdS (mp-672) | <1 1 0> | <0 0 1> | 247.7 |
| CdS (mp-672) | <0 0 1> | <0 1 0> | 200.8 |
| LiF (mp-1138) | <1 1 0> | <0 0 1> | 185.8 |
| LiF (mp-1138) | <1 1 1> | <1 1 1> | 314.7 |
| LiF (mp-1138) | <1 0 0> | <0 1 0> | 321.3 |
| Te2W (mp-22693) | <0 0 1> | <0 0 1> | 247.7 |
| Te2W (mp-22693) | <1 0 0> | <0 0 1> | 289.0 |
Elasticity
A full elastic tensor has not been calculated for this material. Registered users can view statistical-learning-based predictions of this material's bulk and shear moduli.
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Similar Structures
Explanation of dissimilarity measure: Documentation.| material | dissimilarity | Ehull | # of elements |
|---|---|---|---|
| CaSb2 (mvc-16074) | 0.2772 | 0.000 | 2 |
| Rb3Mg (mp-974981) | 0.5815 | 0.167 | 2 |
| SrSb2 (mp-10636) | 0.4448 | 0.000 | 2 |
| SiPt3 (mp-13363) | 0.5417 | 0.023 | 2 |
| CaSb2 (mp-7493) | 0.2771 | 0.000 | 2 |
| BaCaSn3 (mp-583645) | 0.6710 | 0.000 | 3 |
| YbBaSn3 (mp-571479) | 0.6300 | 0.000 | 3 |
| PrGaCo2 (mp-30554) | 0.6478 | 0.136 | 3 |
| Fe(BMo)2 (mp-20278) | 0.6459 | 0.951 | 3 |
| Np2InRh2 (mp-647240) | 0.5626 | 0.308 | 3 |
Calculation Summary
Structure Optimization
Run TypeGGA |
Energy Cutoff520 eV |
# of K-points44 |
U Values-- |
PseudopotentialsVASP PAW: Eu Sb |
Final Energy/Atom-6.8945 eV |
Corrected Energy-41.3669 eV
-41.3669 eV = -41.3669 eV (uncorrected energy)
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Detailed input parameters and outputs for all calculations
ICSD IDs
- 10081
Submitted by
Displaying lattice parameters for primitive cell; note that calculated cell volumes are typically overestimated on average by 3% (+/- 6%). Note the primitive cell may appear less symmetric than the conventional cell representation (see "Structure Type" selector below the 3d structure)