Final Magnetic Moment0.011 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-2.387 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.113 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. |
Density5.65 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToSrCuO2 + SrSnO3 + Cu2O + Y2O3 |
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 MauguinIma2 [46] |
HallI 2 2a |
Point Groupmm2 |
Crystal Systemorthorhombic |
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> | <0 0 1> | 150.6 |
LaAlO3 (mp-2920) | <1 0 1> | <0 0 1> | 150.6 |
AlN (mp-661) | <1 0 0> | <0 0 1> | 361.4 |
AlN (mp-661) | <1 1 0> | <0 1 1> | 135.0 |
CeO2 (mp-20194) | <1 1 0> | <0 0 1> | 210.8 |
GaAs (mp-2534) | <1 0 0> | <0 0 1> | 271.1 |
GaN (mp-804) | <0 0 1> | <0 0 1> | 90.4 |
GaN (mp-804) | <1 1 0> | <0 1 0> | 263.1 |
SiO2 (mp-6930) | <1 0 0> | <1 0 1> | 136.1 |
DyScO3 (mp-31120) | <0 1 0> | <0 0 1> | 90.4 |
DyScO3 (mp-31120) | <0 1 1> | <0 0 1> | 210.8 |
InAs (mp-20305) | <1 0 0> | <0 0 1> | 150.6 |
LiF (mp-1138) | <1 0 0> | <0 0 1> | 150.6 |
YVO4 (mp-19133) | <0 0 1> | <0 0 1> | 271.1 |
YVO4 (mp-19133) | <1 1 0> | <0 0 1> | 331.3 |
Te2Mo (mp-602) | <0 0 1> | <0 0 1> | 271.1 |
Te2Mo (mp-602) | <1 0 1> | <0 0 1> | 271.1 |
GaSe (mp-1943) | <1 0 0> | <0 0 1> | 271.1 |
BN (mp-984) | <0 0 1> | <0 0 1> | 271.1 |
BN (mp-984) | <1 1 0> | <0 0 1> | 240.9 |
LiGaO2 (mp-5854) | <1 0 0> | <0 0 1> | 180.7 |
TeO2 (mp-2125) | <0 0 1> | <0 0 1> | 301.2 |
TeO2 (mp-2125) | <0 1 0> | <0 1 0> | 131.6 |
TeO2 (mp-2125) | <0 1 1> | <0 0 1> | 150.6 |
TeO2 (mp-2125) | <1 1 0> | <0 0 1> | 301.2 |
SiC (mp-7631) | <0 0 1> | <1 0 0> | 132.8 |
SiC (mp-7631) | <1 0 0> | <0 0 1> | 240.9 |
SiC (mp-7631) | <1 0 1> | <0 0 1> | 240.9 |
Fe3O4 (mp-19306) | <1 0 0> | <0 0 1> | 150.6 |
MgO (mp-1265) | <1 0 0> | <0 0 1> | 150.6 |
TiO2 (mp-2657) | <1 0 0> | <0 0 1> | 180.7 |
TiO2 (mp-2657) | <1 1 1> | <0 1 0> | 263.1 |
LaAlO3 (mp-2920) | <1 0 0> | <0 0 1> | 210.8 |
GdScO3 (mp-5690) | <0 0 1> | <0 0 1> | 361.4 |
Mg (mp-153) | <1 1 0> | <0 1 0> | 263.1 |
KP(HO2)2 (mp-23959) | <1 0 0> | <0 0 1> | 120.5 |
AlN (mp-661) | <0 0 1> | <0 1 1> | 135.0 |
AlN (mp-661) | <1 0 1> | <0 0 1> | 240.9 |
CeO2 (mp-20194) | <1 0 0> | <0 0 1> | 30.1 |
BaF2 (mp-1029) | <1 0 0> | <0 0 1> | 150.6 |
PbS (mp-21276) | <1 0 0> | <0 0 1> | 150.6 |
GaP (mp-2490) | <1 0 0> | <0 0 1> | 30.1 |
GaP (mp-2490) | <1 1 0> | <0 1 0> | 131.6 |
GaN (mp-804) | <1 0 0> | <0 0 1> | 271.1 |
GaN (mp-804) | <1 0 1> | <0 0 1> | 331.3 |
SiO2 (mp-6930) | <1 1 0> | <0 0 1> | 240.9 |
InP (mp-20351) | <1 0 0> | <0 0 1> | 271.1 |
DyScO3 (mp-31120) | <1 1 0> | <0 0 1> | 60.2 |
DyScO3 (mp-31120) | <1 1 1> | <0 0 1> | 210.8 |
ZnSe (mp-1190) | <1 0 0> | <0 0 1> | 271.1 |
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 |
---|---|---|---|
Sr2YCu3O7 (mvc-270) | 0.6981 | 0.053 | 4 |
Sr2Y2Ti2O7 (mvc-10753) | 0.6547 | 0.133 | 4 |
Sr2Y2Cu2O7 (mvc-10780) | 0.5374 | 0.092 | 4 |
Sr6Y2Co3(Cu2O7)3 (mvc-14467) | 0.4508 | 0.049 | 5 |
Sr2YFeCu2O7 (mvc-771) | 0.5806 | 0.020 | 5 |
Sr2YMnCu2O7 (mvc-824) | 0.4797 | 0.051 | 5 |
Sr2YCoCu2O7 (mvc-16315) | 0.5447 | 0.098 | 5 |
Sr2YCoCu2O7 (mp-636724) | 0.5567 | 0.098 | 5 |
Run TypeGGA |
Energy Cutoff520 eV |
# of K-pointsNone |
U Values-- |
PseudopotentialsVASP PAW: Sr_sv Y_sv Cu_pv Sn_d O |
Final Energy/Atom-6.3695 eV |
Corrected Energy-175.4396 eV
-175.4396 eV = -165.6075 eV (uncorrected energy) - 9.8321 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)