Final Magnetic Moment0.004 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-0.555 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.002 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. |
Density16.03 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToGaPt2 + GaPt |
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 MauguinCmmm [65] |
Hall-C 2 2 |
Point Groupmmm |
Crystal Systemorthorhombic |
Topological ClassificationSM*
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SubclassificationESFD†
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Crossing TypePoint
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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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substrate material | substrate orientation | film orientation | MCIA† [Å2] |
---|---|---|---|
LaAlO3 (mp-2920) | <0 0 1> | <1 1 0> | 310.4 |
LaAlO3 (mp-2920) | <1 0 1> | <1 1 0> | 310.4 |
AlN (mp-661) | <0 0 1> | <1 1 0> | 221.7 |
AlN (mp-661) | <1 0 0> | <0 1 0> | 241.1 |
AlN (mp-661) | <1 0 1> | <0 1 1> | 273.7 |
AlN (mp-661) | <1 1 0> | <1 1 0> | 221.7 |
AlN (mp-661) | <1 1 1> | <1 0 0> | 260.3 |
CeO2 (mp-20194) | <1 0 0> | <1 0 0> | 260.3 |
CeO2 (mp-20194) | <1 1 0> | <0 1 0> | 120.5 |
CeO2 (mp-20194) | <1 1 1> | <0 1 1> | 205.3 |
GaAs (mp-2534) | <1 0 0> | <0 1 0> | 301.3 |
GaAs (mp-2534) | <1 1 0> | <1 0 1> | 139.0 |
GaAs (mp-2534) | <1 1 1> | <1 0 0> | 227.8 |
BaF2 (mp-1029) | <1 0 0> | <1 0 0> | 162.7 |
GaN (mp-804) | <0 0 1> | <0 1 0> | 150.7 |
GaN (mp-804) | <1 0 0> | <0 1 0> | 120.5 |
GaN (mp-804) | <1 0 1> | <0 1 0> | 271.2 |
GaN (mp-804) | <1 1 0> | <1 0 0> | 260.3 |
GaN (mp-804) | <1 1 1> | <1 0 0> | 260.3 |
SiO2 (mp-6930) | <1 0 0> | <1 1 0> | 221.7 |
SiO2 (mp-6930) | <1 0 1> | <1 0 0> | 325.4 |
SiO2 (mp-6930) | <1 1 0> | <1 0 1> | 139.0 |
SiO2 (mp-6930) | <1 1 1> | <1 0 1> | 208.6 |
KCl (mp-23193) | <1 0 0> | <1 0 0> | 162.7 |
KCl (mp-23193) | <1 1 0> | <1 1 0> | 177.4 |
DyScO3 (mp-31120) | <0 0 1> | <1 0 1> | 278.1 |
DyScO3 (mp-31120) | <0 1 0> | <1 0 0> | 130.1 |
DyScO3 (mp-31120) | <0 1 1> | <1 1 0> | 221.7 |
DyScO3 (mp-31120) | <1 0 0> | <1 0 1> | 139.0 |
DyScO3 (mp-31120) | <1 1 0> | <1 0 0> | 65.1 |
InAs (mp-20305) | <1 0 0> | <1 1 0> | 310.4 |
InAs (mp-20305) | <1 1 0> | <1 0 1> | 208.6 |
ZnSe (mp-1190) | <1 0 0> | <1 1 1> | 303.1 |
ZnSe (mp-1190) | <1 1 0> | <1 0 1> | 139.0 |
ZnSe (mp-1190) | <1 1 1> | <1 0 0> | 227.8 |
KTaO3 (mp-3614) | <1 0 0> | <1 0 0> | 32.5 |
KTaO3 (mp-3614) | <1 1 0> | <1 1 0> | 44.3 |
KTaO3 (mp-3614) | <1 1 1> | <1 1 0> | 221.7 |
CdS (mp-672) | <0 0 1> | <1 0 0> | 260.3 |
CdS (mp-672) | <1 0 0> | <1 0 0> | 260.3 |
CdS (mp-672) | <1 0 1> | <0 1 0> | 241.1 |
CdS (mp-672) | <1 1 0> | <1 1 0> | 354.8 |
CdS (mp-672) | <1 1 1> | <1 0 0> | 260.3 |
LiF (mp-1138) | <1 0 0> | <1 0 0> | 32.5 |
LiF (mp-1138) | <1 1 0> | <0 1 0> | 90.4 |
Te2W (mp-22693) | <0 0 1> | <0 1 0> | 241.1 |
Te2W (mp-22693) | <0 1 1> | <1 0 1> | 278.1 |
YVO4 (mp-19133) | <0 0 1> | <1 0 0> | 260.3 |
YVO4 (mp-19133) | <1 1 1> | <0 1 0> | 241.1 |
TePb (mp-19717) | <1 1 0> | <1 1 0> | 177.4 |
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 |
---|---|---|---|
HfAl5Ni2 (mp-1025457) | 0.6047 | 0.007 | 3 |
ZrAl5Ni2 (mp-30183) | 0.6148 | 0.000 | 3 |
CsHfMg6 (mp-1098046) | 0.6072 | 0.370 | 3 |
RbMg6W (mp-1017182) | 0.6121 | 0.508 | 3 |
KMg6W (mp-1098134) | 0.6099 | 0.428 | 3 |
GaPt3 (mp-862621) | 0.4048 | 0.000 | 2 |
Mn3Pd5 (mp-1078895) | 0.4276 | 0.000 | 2 |
Ti3Pt5 (mp-30851) | 0.5148 | 0.000 | 2 |
Ga3Ni5 (mp-11398) | 0.5151 | 0.000 | 2 |
Al3Ni5 (mp-16514) | 0.4460 | 0.000 | 2 |
Run TypeGGA |
Energy Cutoff520 eV |
# of K-pointsNone |
U Values-- |
PseudopotentialsVASP PAW: Ga_d Pt |
Final Energy/Atom-5.4848 eV |
Corrected Energy-43.8783 eV
-43.8783 eV = -43.8783 eV (uncorrected energy)
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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)