Final Magnetic Moment0.000 μBCalculated total magnetic moment for the unit cell within the magnetic ordering provided (see below). Typically accurate to the second digit. |
Magnetic OrderingNM |
Formation Energy / Atom-2.995 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.090 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. |
Density4.94 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToSrO |
Band Gap2.939 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 MauguinP63/mmc [194] |
Hall-P 6c 2c |
Point Group6/mmm |
Crystal Systemhexagonal |
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%)
substrate material | substrate orientation | film orientation | MCIA† [Å2] |
---|---|---|---|
LaAlO3 (mp-2920) | <0 0 1> | <0 0 1> | 78.0 |
LaAlO3 (mp-2920) | <1 0 1> | <0 0 1> | 300.7 |
AlN (mp-661) | <1 0 0> | <1 1 1> | 121.3 |
AlN (mp-661) | <1 1 1> | <1 0 1> | 225.5 |
CeO2 (mp-20194) | <1 0 0> | <1 1 0> | 155.5 |
CeO2 (mp-20194) | <1 1 0> | <0 0 1> | 167.1 |
GaAs (mp-2534) | <1 0 0> | <1 1 0> | 311.0 |
GaAs (mp-2534) | <1 1 1> | <0 0 1> | 178.2 |
BaF2 (mp-1029) | <1 0 0> | <1 1 0> | 38.9 |
BaF2 (mp-1029) | <1 1 0> | <1 0 0> | 112.2 |
BaF2 (mp-1029) | <1 1 1> | <0 0 1> | 211.6 |
GaN (mp-804) | <0 0 1> | <0 0 1> | 78.0 |
GaN (mp-804) | <1 0 0> | <1 0 0> | 67.3 |
GaN (mp-804) | <1 1 0> | <0 0 1> | 233.9 |
AlN (mp-661) | <0 0 1> | <0 0 1> | 33.4 |
AlN (mp-661) | <1 0 1> | <1 1 1> | 121.3 |
AlN (mp-661) | <1 1 0> | <1 0 0> | 157.1 |
CeO2 (mp-20194) | <1 1 1> | <0 0 1> | 211.6 |
GaN (mp-804) | <1 0 1> | <0 0 1> | 133.7 |
GaN (mp-804) | <1 1 1> | <1 1 0> | 155.5 |
SiO2 (mp-6930) | <0 0 1> | <0 0 1> | 144.8 |
SiO2 (mp-6930) | <1 0 0> | <1 0 1> | 250.6 |
SiO2 (mp-6930) | <1 0 1> | <1 0 1> | 175.4 |
SiO2 (mp-6930) | <1 1 0> | <1 1 1> | 242.7 |
SiO2 (mp-6930) | <1 1 1> | <1 1 1> | 161.8 |
DyScO3 (mp-31120) | <0 0 1> | <0 0 1> | 189.3 |
DyScO3 (mp-31120) | <0 1 0> | <0 0 1> | 167.1 |
DyScO3 (mp-31120) | <1 1 0> | <1 1 0> | 311.0 |
KCl (mp-23193) | <1 0 0> | <1 1 0> | 38.9 |
KCl (mp-23193) | <1 1 0> | <1 0 0> | 112.2 |
KCl (mp-23193) | <1 1 1> | <0 0 1> | 211.6 |
InAs (mp-20305) | <1 1 1> | <0 0 1> | 278.5 |
KTaO3 (mp-3614) | <1 1 1> | <1 0 1> | 275.6 |
InAs (mp-20305) | <1 0 0> | <1 1 0> | 38.9 |
InAs (mp-20305) | <1 1 0> | <1 0 0> | 112.2 |
ZnSe (mp-1190) | <1 0 0> | <1 1 0> | 311.0 |
ZnSe (mp-1190) | <1 1 1> | <0 0 1> | 178.2 |
CdS (mp-672) | <1 1 1> | <0 0 1> | 267.3 |
LiF (mp-1138) | <1 0 0> | <1 1 0> | 155.5 |
LiF (mp-1138) | <1 1 0> | <1 0 0> | 246.9 |
KTaO3 (mp-3614) | <1 0 0> | <1 0 0> | 179.6 |
KTaO3 (mp-3614) | <1 1 0> | <1 1 1> | 242.7 |
Te2W (mp-22693) | <0 0 1> | <0 0 1> | 22.3 |
Te2W (mp-22693) | <0 1 0> | <1 0 0> | 112.2 |
Te2W (mp-22693) | <0 1 1> | <0 0 1> | 178.2 |
Te2W (mp-22693) | <1 0 0> | <1 1 0> | 194.4 |
Te2W (mp-22693) | <1 0 1> | <1 1 0> | 194.4 |
Te2W (mp-22693) | <1 1 1> | <0 0 1> | 111.4 |
CdS (mp-672) | <0 0 1> | <0 0 1> | 44.6 |
CdS (mp-672) | <1 0 0> | <1 0 1> | 325.8 |
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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material | dissimilarity | Ehull | # of elements |
---|---|---|---|
CaEu2O3 (mp-756336) | 0.1061 | 0.098 | 3 |
CdInS2 (mp-20519) | 0.1002 | 0.190 | 3 |
LiZrSe2 (mp-1001615) | 0.1622 | 0.000 | 3 |
LiTiTe2 (mp-10189) | 0.1163 | 0.014 | 3 |
LiSnS2 (mp-27683) | 0.1004 | 0.098 | 3 |
Li8Cr(FeO4)3 (mp-767681) | 0.4914 | 1.300 | 4 |
Li8TiMn3O12 (mp-767679) | 0.5140 | 0.088 | 4 |
Na3Ni2SbO6 (mp-971678) | 0.5349 | 0.000 | 4 |
Li8Mn(FeO4)3 (mp-766973) | 0.5020 | 0.073 | 4 |
Li8Mn3CrO12 (mp-765119) | 0.5079 | 0.107 | 4 |
ZrN (mp-1014160) | 0.0848 | 0.048 | 2 |
CaTe (mp-569170) | 0.0890 | 0.034 | 2 |
RuN (mp-999195) | 0.0898 | 0.486 | 2 |
BaO (mp-1008500) | 0.0853 | 0.026 | 2 |
CrH (mp-1007992) | 0.0884 | 0.366 | 2 |
Na6MnNi3(SbO6)2 (mp-1094109) | 0.5721 | 0.139 | 5 |
Na (mp-999501) | 0.3581 | 0.114 | 1 |
Xe (mp-979286) | 0.6433 | 0.006 | 1 |
Sb (mp-632286) | 0.6413 | 0.059 | 1 |
Bi (mp-567379) | 0.5451 | 0.059 | 1 |
Te (mp-570459) | 0.5695 | 0.044 | 1 |
Explore more synthesis descriptions for materials of composition SrO.
Text computed by synthesisproject.org.
Run TypeGGA |
Energy Cutoff520 eV |
# of K-pointsNone |
U Values-- |
PseudopotentialsVASP PAW: Sr_sv O |
Final Energy/Atom-5.9622 eV |
Corrected Energy-25.2533 eV
-25.2533 eV = -23.8487 eV (uncorrected energy) - 1.4046 eV (MP Anion Correction)
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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)