Final Magnetic Moment0.001 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-2.753 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.826 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. |
Density6.22 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToEu2O3 + Sc2O3 |
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 MauguinPnma [62] |
Hall-P 2ac 2n |
Point Groupmmm |
Crystal Systemorthorhombic |
Topological Classificationtrivial*
|
SubclassificationLCEBR†
|
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%)
Select an element to display a spectrum averaged over all sites of that element in the structure.
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Download spectra for every symmetrically equivalent absorption site in the structure.
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substrate material | substrate orientation | film orientation | MCIA† [Å2] |
---|---|---|---|
LaAlO3 (mp-2920) | <0 0 1> | <1 0 0> | 326.6 |
AlN (mp-661) | <0 0 1> | <0 1 1> | 111.0 |
AlN (mp-661) | <1 0 0> | <1 1 1> | 217.5 |
AlN (mp-661) | <1 0 1> | <0 0 1> | 130.3 |
AlN (mp-661) | <1 1 0> | <1 1 1> | 217.5 |
AlN (mp-661) | <1 1 1> | <1 1 1> | 145.0 |
CeO2 (mp-20194) | <1 0 0> | <0 1 0> | 89.9 |
CeO2 (mp-20194) | <1 1 0> | <0 0 1> | 130.3 |
GaAs (mp-2534) | <1 0 0> | <0 0 1> | 32.6 |
GaAs (mp-2534) | <1 1 0> | <0 1 0> | 44.9 |
GaAs (mp-2534) | <1 1 1> | <0 1 0> | 224.7 |
BaF2 (mp-1029) | <1 0 0> | <1 1 0> | 323.9 |
GaN (mp-804) | <0 0 1> | <0 0 1> | 162.9 |
GaN (mp-804) | <1 0 0> | <1 0 0> | 186.6 |
GaN (mp-804) | <1 0 1> | <0 0 1> | 130.3 |
GaN (mp-804) | <1 1 0> | <0 1 0> | 89.9 |
GaN (mp-804) | <1 1 1> | <0 1 1> | 222.0 |
MoS2 (mp-1434) | <0 0 1> | <0 0 1> | 228.0 |
Al (mp-134) | <1 0 0> | <0 0 1> | 32.6 |
Al (mp-134) | <1 1 0> | <0 1 0> | 44.9 |
SiO2 (mp-6930) | <0 0 1> | <1 0 1> | 170.7 |
SiO2 (mp-6930) | <1 0 0> | <0 1 1> | 55.5 |
SiO2 (mp-6930) | <1 0 1> | <0 1 0> | 134.8 |
SiO2 (mp-6930) | <1 1 0> | <0 0 1> | 97.7 |
KCl (mp-23193) | <1 0 0> | <1 1 0> | 323.9 |
KCl (mp-23193) | <1 1 0> | <0 1 0> | 179.7 |
Al (mp-134) | <1 1 1> | <0 1 1> | 55.5 |
LiGaO2 (mp-5854) | <0 0 1> | <0 1 1> | 55.5 |
LiGaO2 (mp-5854) | <0 1 0> | <1 1 1> | 290.0 |
LiGaO2 (mp-5854) | <0 1 1> | <0 1 1> | 166.5 |
LiGaO2 (mp-5854) | <1 0 0> | <0 1 1> | 111.0 |
LiGaO2 (mp-5854) | <1 0 1> | <0 1 0> | 44.9 |
LiGaO2 (mp-5854) | <1 1 0> | <0 1 1> | 333.0 |
LiGaO2 (mp-5854) | <1 1 1> | <1 1 1> | 217.5 |
CdTe (mp-406) | <1 1 0> | <0 1 0> | 179.7 |
DyScO3 (mp-31120) | <0 0 1> | <0 0 1> | 32.6 |
DyScO3 (mp-31120) | <0 1 0> | <0 1 0> | 44.9 |
DyScO3 (mp-31120) | <0 1 1> | <0 1 1> | 55.5 |
DyScO3 (mp-31120) | <1 0 0> | <0 1 0> | 44.9 |
DyScO3 (mp-31120) | <1 0 1> | <0 1 1> | 55.5 |
DyScO3 (mp-31120) | <1 1 0> | <1 1 0> | 64.8 |
DyScO3 (mp-31120) | <1 1 1> | <1 1 1> | 72.5 |
InAs (mp-20305) | <1 1 0> | <1 1 0> | 323.9 |
ZnSe (mp-1190) | <1 0 0> | <0 0 1> | 32.6 |
ZnSe (mp-1190) | <1 1 0> | <0 1 0> | 44.9 |
ZnSe (mp-1190) | <1 1 1> | <0 1 0> | 224.7 |
TeO2 (mp-2125) | <0 0 1> | <0 0 1> | 32.6 |
TeO2 (mp-2125) | <0 1 0> | <0 1 0> | 134.8 |
TeO2 (mp-2125) | <0 1 1> | <0 1 1> | 222.0 |
TeO2 (mp-2125) | <1 0 0> | <0 1 0> | 134.8 |
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 |
---|---|---|---|
NaZnF3 (mp-3795) | 0.0873 | 0.000 | 3 |
NdScO3 (mp-31117) | 0.0629 | 0.000 | 3 |
CeScO3 (mp-777413) | 0.0339 | 0.025 | 3 |
CaZrO3 (mp-4571) | 0.0781 | 0.000 | 3 |
CaSnO3 (mp-4438) | 0.0801 | 0.014 | 3 |
Ca2SnIrO6 (mvc-5666) | 0.1283 | 0.067 | 4 |
Ca2SnSbO6 (mvc-3972) | 0.1092 | 0.076 | 4 |
Ca4Zr3TaO12 (mp-756837) | 0.1955 | 0.033 | 4 |
Ca2NbInO6 (mp-560645) | 0.1947 | 0.006 | 4 |
CaPr(SnO3)2 (mvc-9344) | 0.1347 | 0.132 | 4 |
U2S3 (mp-672690) | 0.6578 | 0.194 | 2 |
Al2O3 (mp-642363) | 0.5760 | 0.280 | 2 |
Cr3C2 (mp-570112) | 0.6370 | 0.030 | 2 |
Te2Ir (mp-1551) | 0.6733 | 0.006 | 2 |
Fe2O3 (mp-1078361) | 0.6623 | 0.704 | 2 |
LiLaNdSbO6 (mp-776091) | 0.2640 | 0.006 | 5 |
LaMgFeSnO6 (mvc-9082) | 0.2665 | 0.290 | 5 |
LaMgCrMoO6 (mvc-9867) | 0.2772 | 0.087 | 5 |
LaMgCrSbO6 (mvc-9859) | 0.2651 | 0.329 | 5 |
LaMgCrSnO6 (mvc-9925) | 0.2519 | 0.148 | 5 |
Run TypeGGA |
Energy Cutoff520 eV |
# of K-pointsNone |
U Values-- |
PseudopotentialsVASP PAW: Eu Sc_sv O |
Final Energy/Atom-8.6251 eV |
Corrected Energy-180.7454 eV
Uncorrected energy = -172.5014 eV
Composition-based energy adjustment (-0.687 eV/atom x 12.0 atoms) = -8.2440 eV
Corrected energy = -180.7454 eV
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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)