Final Magnetic Moment0.002 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-3.115 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.111 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. |
Density9.02 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToSm2O3 + Sm |
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 MauguinFm3m [225] |
Hall-F 4 2 3 |
Point Groupm3m |
Crystal Systemcubic |
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%)
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substrate material | substrate orientation | film orientation | MCIA† [Å2] |
---|---|---|---|
LaAlO3 (mp-2920) | <0 0 1> | <1 1 1> | 170.9 |
AlN (mp-661) | <0 0 1> | <1 0 0> | 197.3 |
AlN (mp-661) | <1 0 0> | <1 0 0> | 123.3 |
AlN (mp-661) | <1 0 1> | <1 0 0> | 271.3 |
CeO2 (mp-20194) | <1 0 0> | <1 0 0> | 123.3 |
GaAs (mp-2534) | <1 1 0> | <1 1 0> | 139.5 |
GaAs (mp-2534) | <1 1 1> | <1 1 1> | 170.9 |
AlN (mp-661) | <1 1 0> | <1 1 0> | 104.6 |
GaAs (mp-2534) | <1 0 0> | <1 0 0> | 320.7 |
BaF2 (mp-1029) | <1 0 0> | <1 0 0> | 197.3 |
GaN (mp-804) | <1 0 1> | <1 1 1> | 213.6 |
GaN (mp-804) | <1 1 1> | <1 0 0> | 123.3 |
SiO2 (mp-6930) | <0 0 1> | <1 0 0> | 172.7 |
GaN (mp-804) | <0 0 1> | <1 1 1> | 170.9 |
GaN (mp-804) | <1 0 0> | <1 0 0> | 296.0 |
GaN (mp-804) | <1 1 0> | <1 1 0> | 174.4 |
SiO2 (mp-6930) | <1 0 0> | <1 1 0> | 139.5 |
SiO2 (mp-6930) | <1 0 1> | <1 0 0> | 271.3 |
SiO2 (mp-6930) | <1 1 1> | <1 1 0> | 104.6 |
KCl (mp-23193) | <1 0 0> | <1 0 0> | 197.3 |
KCl (mp-23193) | <1 1 1> | <1 1 1> | 299.1 |
DyScO3 (mp-31120) | <0 0 1> | <1 1 0> | 279.1 |
DyScO3 (mp-31120) | <1 1 0> | <1 0 0> | 123.3 |
InAs (mp-20305) | <1 0 0> | <1 0 0> | 197.3 |
InAs (mp-20305) | <1 1 0> | <1 1 0> | 104.6 |
ZnSe (mp-1190) | <1 0 0> | <1 0 0> | 320.7 |
DyScO3 (mp-31120) | <0 1 1> | <1 1 0> | 279.1 |
DyScO3 (mp-31120) | <1 0 1> | <1 1 0> | 279.1 |
ZnSe (mp-1190) | <1 1 0> | <1 1 0> | 139.5 |
ZnSe (mp-1190) | <1 1 1> | <1 1 1> | 170.9 |
KTaO3 (mp-3614) | <1 1 1> | <1 1 0> | 139.5 |
KTaO3 (mp-3614) | <1 0 0> | <1 0 0> | 123.3 |
KTaO3 (mp-3614) | <1 1 0> | <1 1 0> | 69.8 |
CdS (mp-672) | <1 1 0> | <1 1 0> | 104.6 |
LiF (mp-1138) | <1 1 0> | <1 1 0> | 69.8 |
LiF (mp-1138) | <1 1 1> | <1 1 0> | 139.5 |
CdS (mp-672) | <0 0 1> | <1 0 0> | 271.3 |
CdS (mp-672) | <1 0 0> | <1 0 0> | 148.0 |
CdS (mp-672) | <1 0 1> | <1 0 0> | 370.0 |
LiF (mp-1138) | <1 0 0> | <1 0 0> | 222.0 |
Te2W (mp-22693) | <0 0 1> | <1 1 0> | 174.4 |
YVO4 (mp-19133) | <0 0 1> | <1 0 0> | 49.3 |
YVO4 (mp-19133) | <1 0 1> | <1 0 0> | 197.3 |
Te2W (mp-22693) | <0 1 0> | <1 1 1> | 213.6 |
Te2W (mp-22693) | <0 1 1> | <1 0 0> | 296.0 |
YVO4 (mp-19133) | <1 0 0> | <1 1 0> | 174.4 |
YVO4 (mp-19133) | <1 1 1> | <1 0 0> | 246.7 |
TePb (mp-19717) | <1 0 0> | <1 0 0> | 222.0 |
TePb (mp-19717) | <1 1 1> | <1 1 1> | 299.1 |
Te2Mo (mp-602) | <1 0 1> | <1 1 1> | 213.6 |
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 |
---|---|---|---|
Sr4SO3 (mp-1079788) | 0.0000 | 0.200 | 3 |
BaSr3O4 (mp-984729) | 0.0000 | 0.044 | 3 |
ScH4Pd3 (mp-981386) | 0.0000 | 0.039 | 3 |
Sr3CdO4 (mp-981103) | 0.0000 | 0.019 | 3 |
SrCa3O4 (mp-978844) | 0.0000 | 0.040 | 3 |
HoS (mp-1240) | 0.0000 | 0.000 | 2 |
HgS (mp-10764) | 0.0000 | 0.176 | 2 |
TmAs (mp-1101) | 0.0000 | 0.000 | 2 |
LaP (mp-2384) | 0.0000 | 0.000 | 2 |
SnP (mp-475) | 0.0000 | 0.043 | 2 |
As (mp-10) | 0.0000 | 0.126 | 1 |
Sc (mp-1008681) | 0.0000 | 0.719 | 1 |
Ca (mp-10683) | 0.0000 | 0.393 | 1 |
C (mp-998866) | 0.0000 | 2.763 | 1 |
Sb (mp-133) | 0.0000 | 0.051 | 1 |
Run TypeGGA |
Energy Cutoff520 eV |
# of K-pointsNone |
U Values-- |
PseudopotentialsVASP PAW: Sm_3 O |
Final Energy/Atom-7.5969 eV |
Corrected Energy-15.8962 eV
-15.8962 eV = -15.1939 eV (uncorrected energy) - 0.7023 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)