Final Magnetic Moment0.192 μBCalculated total magnetic moment for the unit cell within the magnetic ordering provided (see below). Typically accurate to the second digit. |
Magnetic OrderingFM |
Formation Energy / Atom-0.558 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.033 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. |
Density8.44 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToCe4In21Pd10 + Ce2In8Pd + CeInPd |
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 MauguinCmcm [63] |
Hall-C 2c 2 |
Point Groupmmm |
Crystal Systemorthorhombic |
Topological ClassificationTI*
|
SubclassificationNLC†
|
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> | <0 1 0> | 281.8 |
LaAlO3 (mp-2920) | <1 0 0> | <1 0 1> | 283.1 |
LaAlO3 (mp-2920) | <1 1 0> | <0 1 1> | 121.9 |
LaAlO3 (mp-2920) | <1 1 1> | <0 1 1> | 121.9 |
AlN (mp-661) | <0 0 1> | <0 0 1> | 248.6 |
AlN (mp-661) | <1 0 0> | <0 1 0> | 140.9 |
AlN (mp-661) | <1 1 0> | <0 1 0> | 352.3 |
AlN (mp-661) | <1 1 1> | <1 0 1> | 283.1 |
CeO2 (mp-20194) | <1 0 0> | <0 1 0> | 176.1 |
CeO2 (mp-20194) | <1 1 0> | <0 1 1> | 121.9 |
CeO2 (mp-20194) | <1 1 1> | <0 1 1> | 304.7 |
GaAs (mp-2534) | <1 0 0> | <1 1 0> | 262.8 |
GaAs (mp-2534) | <1 1 0> | <0 1 1> | 182.8 |
BaF2 (mp-1029) | <1 1 0> | <1 0 0> | 160.4 |
GaN (mp-804) | <0 0 1> | <0 1 1> | 304.7 |
GaN (mp-804) | <1 0 0> | <0 1 0> | 246.6 |
GaN (mp-804) | <1 0 1> | <0 1 0> | 176.1 |
GaN (mp-804) | <1 1 0> | <1 0 0> | 240.6 |
GaN (mp-804) | <1 1 1> | <0 1 0> | 281.8 |
SiO2 (mp-6930) | <0 0 1> | <0 1 1> | 304.7 |
SiO2 (mp-6930) | <1 0 0> | <0 1 0> | 317.1 |
SiO2 (mp-6930) | <1 1 1> | <1 0 0> | 160.4 |
KCl (mp-23193) | <1 1 0> | <1 0 0> | 240.6 |
KCl (mp-23193) | <1 1 1> | <1 0 1> | 283.1 |
DyScO3 (mp-31120) | <0 0 1> | <0 1 0> | 246.6 |
DyScO3 (mp-31120) | <0 1 0> | <0 0 1> | 248.6 |
DyScO3 (mp-31120) | <1 0 0> | <0 1 1> | 182.8 |
InAs (mp-20305) | <1 1 0> | <1 0 0> | 160.4 |
ZnSe (mp-1190) | <1 0 0> | <1 1 0> | 262.8 |
ZnSe (mp-1190) | <1 1 0> | <0 1 1> | 182.8 |
KTaO3 (mp-3614) | <1 0 0> | <0 1 0> | 176.1 |
KTaO3 (mp-3614) | <1 1 0> | <0 1 1> | 182.8 |
CdS (mp-672) | <1 0 0> | <1 0 1> | 283.1 |
CdS (mp-672) | <1 0 1> | <0 1 0> | 281.8 |
LiF (mp-1138) | <1 0 0> | <0 1 0> | 176.1 |
LiF (mp-1138) | <1 1 0> | <0 1 1> | 182.8 |
MoS2 (mp-1434) | <1 0 0> | <0 0 1> | 198.9 |
MoS2 (mp-1434) | <1 0 1> | <0 0 1> | 198.9 |
Al (mp-134) | <1 0 0> | <0 1 0> | 176.1 |
Al (mp-134) | <1 1 0> | <0 1 1> | 182.8 |
Te2W (mp-22693) | <0 0 1> | <0 1 1> | 182.8 |
Te2W (mp-22693) | <0 1 0> | <1 0 0> | 160.4 |
Te2W (mp-22693) | <1 0 0> | <0 1 0> | 281.8 |
LiGaO2 (mp-5854) | <1 0 0> | <1 0 1> | 283.1 |
LiGaO2 (mp-5854) | <1 1 0> | <1 0 0> | 240.6 |
CdTe (mp-406) | <1 0 0> | <0 0 1> | 298.3 |
CdTe (mp-406) | <1 1 0> | <1 0 0> | 240.6 |
TePb (mp-19717) | <1 0 0> | <0 1 0> | 211.4 |
TePb (mp-19717) | <1 1 0> | <1 0 0> | 240.6 |
TeO2 (mp-2125) | <0 0 1> | <1 1 0> | 262.8 |
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 |
---|---|---|---|
YbGa2Pd (mp-972051) | 0.3647 | 0.000 | 3 |
EuIn2Au (mp-639496) | 0.3689 | 0.000 | 3 |
YbIn2Au (mp-20746) | 0.3804 | 0.000 | 3 |
ScGa2Ni (mp-11401) | 0.3551 | 0.000 | 3 |
LaIn2Pd (mp-21367) | 0.1824 | 0.000 | 3 |
Na2LiGaAs2 (mp-9722) | 0.6342 | 0.000 | 4 |
LiYb2InGe2 (mp-977355) | 0.7012 | 0.000 | 4 |
Sr2LiInGe2 (mp-571617) | 0.6993 | 0.000 | 4 |
K3Na2SnBi3 (mp-568329) | 0.7142 | 0.000 | 4 |
LiCa2InGe2 (mp-570850) | 0.6998 | 0.000 | 4 |
MgH2 (mp-23712) | 0.6154 | 0.082 | 2 |
Mg2Si3 (mp-1073157) | 0.6199 | 0.235 | 2 |
Eu2Ge (mp-1095642) | 0.6343 | 0.000 | 2 |
MgSi (mp-1073850) | 0.5472 | 0.177 | 2 |
MgBi2 (mp-1038896) | 0.6167 | 0.093 | 2 |
Run TypeGGA |
Energy Cutoff520 eV |
# of K-pointsNone |
U Values-- |
PseudopotentialsVASP PAW: Ce In_d Pd |
Final Energy/Atom-4.7109 eV |
Corrected Energy-37.6869 eV
Uncorrected energy = -37.6869 eV
Corrected energy = -37.6869 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)