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-0.497 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.000 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. |
Density9.54 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToStable |
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 |
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] |
---|---|---|---|
BaF2 (mp-1029) | <1 0 0> | <0 0 1> | 196.7 |
GaN (mp-804) | <0 0 1> | <0 0 1> | 164.0 |
GaN (mp-804) | <1 0 0> | <0 1 1> | 234.0 |
GaN (mp-804) | <1 1 1> | <0 1 0> | 267.2 |
SiO2 (mp-6930) | <1 0 0> | <1 1 0> | 249.3 |
SiO2 (mp-6930) | <1 0 1> | <0 1 1> | 140.4 |
KCl (mp-23193) | <1 0 0> | <0 1 0> | 200.4 |
DyScO3 (mp-31120) | <0 0 1> | <0 1 0> | 300.6 |
DyScO3 (mp-31120) | <0 1 0> | <1 0 0> | 263.1 |
DyScO3 (mp-31120) | <1 0 1> | <0 0 1> | 229.5 |
DyScO3 (mp-31120) | <1 1 0> | <1 0 0> | 263.1 |
InAs (mp-20305) | <1 0 0> | <0 0 1> | 229.5 |
InAs (mp-20305) | <1 1 0> | <1 1 0> | 311.6 |
ZnSe (mp-1190) | <1 0 0> | <1 0 0> | 263.1 |
KTaO3 (mp-3614) | <1 0 0> | <1 0 0> | 210.5 |
KTaO3 (mp-3614) | <1 1 0> | <1 0 0> | 210.5 |
KTaO3 (mp-3614) | <1 1 1> | <1 1 0> | 249.3 |
CdS (mp-672) | <0 0 1> | <1 0 1> | 62.0 |
CdS (mp-672) | <1 0 0> | <0 0 1> | 229.5 |
CdS (mp-672) | <1 1 0> | <0 0 1> | 98.4 |
CdS (mp-672) | <1 1 1> | <0 0 1> | 262.3 |
LiF (mp-1138) | <1 0 0> | <1 0 1> | 248.0 |
LiF (mp-1138) | <1 1 0> | <1 0 0> | 210.5 |
LiF (mp-1138) | <1 1 1> | <0 1 1> | 234.0 |
Te2W (mp-22693) | <0 0 1> | <0 0 1> | 229.5 |
Te2W (mp-22693) | <0 1 0> | <0 1 1> | 327.6 |
Te2W (mp-22693) | <0 1 1> | <1 1 1> | 281.7 |
YVO4 (mp-19133) | <0 0 1> | <1 0 0> | 52.6 |
YVO4 (mp-19133) | <1 0 0> | <1 0 1> | 186.0 |
YVO4 (mp-19133) | <1 0 1> | <1 0 0> | 210.5 |
YVO4 (mp-19133) | <1 1 0> | <0 1 1> | 327.6 |
LaAlO3 (mp-2920) | <0 0 1> | <0 1 0> | 267.2 |
TePb (mp-19717) | <1 0 0> | <1 0 0> | 210.5 |
AlN (mp-661) | <0 0 1> | <1 1 1> | 281.7 |
Te2Mo (mp-602) | <0 0 1> | <1 0 0> | 263.1 |
Te2Mo (mp-602) | <1 0 1> | <0 0 1> | 229.5 |
AlN (mp-661) | <1 0 0> | <1 0 0> | 157.9 |
AlN (mp-661) | <1 0 1> | <0 1 0> | 167.0 |
AlN (mp-661) | <1 1 0> | <1 1 0> | 187.0 |
AlN (mp-661) | <1 1 1> | <0 0 1> | 229.5 |
CeO2 (mp-20194) | <1 0 0> | <1 0 0> | 263.1 |
CeO2 (mp-20194) | <1 1 0> | <0 0 1> | 295.1 |
Ag (mp-124) | <1 0 0> | <0 0 1> | 262.3 |
Ag (mp-124) | <1 1 0> | <0 0 1> | 360.7 |
Ag (mp-124) | <1 1 1> | <1 1 1> | 211.3 |
GaAs (mp-2534) | <1 0 0> | <1 0 0> | 263.1 |
GaAs (mp-2534) | <1 1 0> | <1 1 1> | 140.9 |
BaF2 (mp-1029) | <1 1 0> | <0 1 1> | 280.8 |
Bi2Te3 (mp-34202) | <0 0 1> | <0 1 1> | 140.4 |
Bi2Te3 (mp-34202) | <1 0 0> | <0 1 1> | 140.4 |
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 |
---|---|---|---|
HoCoSn (mp-5601) | 0.0555 | 0.000 | 3 |
DyCoSn (mp-22228) | 0.1903 | 0.000 | 3 |
TbCoSn (mp-646450) | 0.2113 | 0.000 | 3 |
DyGaCo (mp-605252) | 0.2088 | 0.000 | 3 |
GdGeRu (mp-19714) | 0.2429 | 0.000 | 3 |
EuIn2(GeIr)4 (mp-1095411) | 0.7134 | 0.000 | 4 |
EuZn2 (mp-681) | 0.6396 | 0.000 | 2 |
EuGa2 (mp-917274) | 0.6396 | 0.000 | 2 |
BaIn2 (mp-22141) | 0.6241 | 0.000 | 2 |
SrZn2 (mp-569426) | 0.6147 | 0.000 | 2 |
LaZn2 (mp-567258) | 0.6323 | 0.000 | 2 |
Run TypeGGA |
Energy Cutoff520 eV |
# of K-pointsNone |
U Values-- |
PseudopotentialsVASP PAW: Er_3 Co Sn_d |
Final Energy/Atom-5.7194 eV |
Corrected Energy-68.6333 eV
Uncorrected energy = -68.6333 eV
Corrected energy = -68.6333 eV
|
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)