Final Magnetic Moment0.007 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-0.016 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.061 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. |
Density2.34 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToSr6Mg23 + SrMg2 |
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> | 102.6 |
LaAlO3 (mp-2920) | <1 0 0> | <1 0 0> | 296.1 |
CeO2 (mp-20194) | <1 0 0> | <1 0 0> | 59.2 |
GaAs (mp-2534) | <1 0 0> | <1 0 0> | 296.1 |
BaF2 (mp-1029) | <1 1 0> | <1 1 0> | 167.5 |
LaAlO3 (mp-2920) | <1 0 1> | <1 0 0> | 296.1 |
LaAlO3 (mp-2920) | <1 1 0> | <1 1 0> | 251.2 |
AlN (mp-661) | <1 0 0> | <1 0 0> | 236.9 |
CeO2 (mp-20194) | <1 1 0> | <1 1 0> | 83.7 |
GaN (mp-804) | <0 0 1> | <1 0 0> | 177.6 |
KCl (mp-23193) | <1 1 0> | <1 1 0> | 167.5 |
DyScO3 (mp-31120) | <1 1 0> | <1 1 0> | 251.2 |
DyScO3 (mp-31120) | <0 0 1> | <1 1 0> | 251.2 |
DyScO3 (mp-31120) | <0 1 0> | <1 0 0> | 177.6 |
InAs (mp-20305) | <1 0 0> | <1 0 0> | 296.1 |
InAs (mp-20305) | <1 1 0> | <1 1 0> | 167.5 |
ZnSe (mp-1190) | <1 0 0> | <1 0 0> | 296.1 |
KTaO3 (mp-3614) | <1 0 0> | <1 0 0> | 296.1 |
KTaO3 (mp-3614) | <1 1 0> | <1 1 0> | 251.2 |
LiF (mp-1138) | <1 0 0> | <1 0 0> | 296.1 |
Te2Mo (mp-602) | <0 0 1> | <1 0 0> | 296.1 |
TePb (mp-19717) | <1 1 0> | <1 1 0> | 251.2 |
Te2Mo (mp-602) | <1 0 0> | <1 1 0> | 167.5 |
Ag (mp-124) | <1 0 0> | <1 0 0> | 296.1 |
BN (mp-984) | <0 0 1> | <1 0 0> | 236.9 |
BN (mp-984) | <1 0 0> | <1 0 0> | 59.2 |
GaSe (mp-1943) | <0 0 1> | <1 1 0> | 251.2 |
BN (mp-984) | <1 1 0> | <1 1 0> | 167.5 |
BN (mp-984) | <1 1 1> | <1 0 0> | 236.9 |
MoS2 (mp-1434) | <0 0 1> | <1 0 0> | 177.6 |
Al (mp-134) | <1 0 0> | <1 0 0> | 296.1 |
Al (mp-134) | <1 1 0> | <1 1 0> | 251.2 |
LiGaO2 (mp-5854) | <1 0 1> | <1 0 0> | 177.6 |
LiGaO2 (mp-5854) | <1 1 0> | <1 1 0> | 251.2 |
CdTe (mp-406) | <1 1 0> | <1 1 0> | 251.2 |
TeO2 (mp-2125) | <0 0 1> | <1 1 0> | 251.2 |
SiC (mp-7631) | <1 0 1> | <1 0 0> | 236.9 |
TeO2 (mp-2125) | <0 1 1> | <1 0 0> | 296.1 |
SiC (mp-7631) | <0 0 1> | <1 0 0> | 296.1 |
SiC (mp-7631) | <1 0 0> | <1 0 0> | 236.9 |
Fe3O4 (mp-19306) | <1 0 0> | <1 0 0> | 296.1 |
Ge3(BiO3)4 (mp-23560) | <1 1 0> | <1 1 0> | 167.5 |
Mg (mp-153) | <0 0 1> | <1 0 0> | 177.6 |
MgO (mp-1265) | <1 0 0> | <1 0 0> | 236.9 |
TiO2 (mp-2657) | <1 0 1> | <1 1 0> | 251.2 |
Ge3(BiO3)4 (mp-23560) | <1 0 0> | <1 0 0> | 118.4 |
GdScO3 (mp-5690) | <0 0 1> | <1 1 0> | 251.2 |
GdScO3 (mp-5690) | <0 1 0> | <1 0 0> | 177.6 |
KP(HO2)2 (mp-23959) | <0 0 1> | <1 0 0> | 236.9 |
KP(HO2)2 (mp-23959) | <0 1 0> | <1 0 0> | 236.9 |
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 |
---|---|---|---|
FeSnRu2 (mp-636599) | 0.0249 | 0.322 | 3 |
GdGaRh2 (mp-863249) | 0.0203 | 0.000 | 3 |
PuBiPd2 (mp-861726) | 0.0202 | 0.530 | 3 |
Na2SrFe (mp-631880) | 0.0054 | 0.652 | 3 |
UAl2Cu (mp-1064586) | 0.0138 | 0.459 | 3 |
VFeCoGe (mp-1063914) | 0.0399 | 0.000 | 4 |
TiFeCoAs (mp-998974) | 0.0399 | 0.134 | 4 |
TiGaFeCo (mp-998964) | 0.0399 | 0.000 | 4 |
TiFeCoSi (mp-998971) | 0.0399 | 0.029 | 4 |
TiFeCoGe (mp-1018012) | 0.0399 | 0.028 | 4 |
Mg3Np (mp-978289) | 0.0000 | 0.372 | 2 |
MnRh (mp-1059972) | 0.0040 | 0.000 | 2 |
Fe3Co (mp-601820) | 0.0040 | 0.000 | 2 |
AgBr (mp-1060967) | 0.0200 | 0.222 | 2 |
AgCl (mp-1060502) | 0.0100 | 0.137 | 2 |
Cu (mp-998890) | 0.0399 | 0.037 | 1 |
Kr (mp-974400) | 0.0399 | 0.002 | 1 |
H2 (mp-632250) | 0.0399 | 0.000 | 1 |
Ge (mp-998883) | 0.0399 | 0.339 | 1 |
S (mp-1063988) | 0.0377 | 1.137 | 1 |
Run TypeGGA |
Energy Cutoff520 eV |
# of K-pointsNone |
U Values-- |
PseudopotentialsVASP PAW: Sr_sv Mg_pv |
Final Energy/Atom-1.6383 eV |
Corrected Energy-6.5534 eV
-6.5534 eV = -6.5534 eV (uncorrected energy)
|
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)