Final Magnetic Moment0.005 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 / Atom0.126 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.428 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. |
Density7.81 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToHoCd2 |
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 MauguinP3m1 [164] |
Hall-P 3 2" |
Point Group3m |
Crystal Systemtrigonal |
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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Download spectra for every symmetrically equivalent absorption site in the structure.
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substrate material | substrate orientation | film orientation | MCIA† [Å2] |
---|---|---|---|
C (mp-48) | <1 0 0> | <1 1 0> | 152.6 |
C (mp-48) | <1 1 1> | <1 1 1> | 318.3 |
LaAlO3 (mp-2920) | <1 0 1> | <0 0 1> | 76.6 |
AlN (mp-661) | <1 1 0> | <1 0 1> | 186.1 |
CeO2 (mp-20194) | <1 0 0> | <1 0 0> | 88.1 |
CeO2 (mp-20194) | <1 1 0> | <1 0 0> | 123.3 |
GaAs (mp-2534) | <1 1 0> | <1 1 0> | 91.5 |
BaF2 (mp-1029) | <1 1 0> | <1 0 0> | 229.0 |
C (mp-48) | <0 0 1> | <1 1 0> | 152.6 |
C (mp-48) | <1 0 1> | <1 0 0> | 158.5 |
C (mp-48) | <1 1 0> | <1 1 1> | 198.9 |
LaAlO3 (mp-2920) | <0 0 1> | <0 0 1> | 25.5 |
LaAlO3 (mp-2920) | <1 0 0> | <1 0 0> | 70.5 |
LaAlO3 (mp-2920) | <1 1 0> | <1 1 0> | 122.0 |
LaAlO3 (mp-2920) | <1 1 1> | <0 0 1> | 127.6 |
SiO2 (mp-6930) | <1 0 1> | <1 1 0> | 213.6 |
SiO2 (mp-6930) | <1 1 0> | <1 0 0> | 140.9 |
AlN (mp-661) | <0 0 1> | <0 0 1> | 25.5 |
AlN (mp-661) | <1 0 0> | <1 1 1> | 278.5 |
AlN (mp-661) | <1 0 1> | <1 1 0> | 213.6 |
AlN (mp-661) | <1 1 1> | <1 0 0> | 229.0 |
GaAs (mp-2534) | <1 0 0> | <1 0 0> | 264.2 |
GaAs (mp-2534) | <1 1 1> | <0 0 1> | 178.7 |
DyScO3 (mp-31120) | <0 0 1> | <1 0 0> | 123.3 |
DyScO3 (mp-31120) | <0 1 0> | <1 0 0> | 88.1 |
DyScO3 (mp-31120) | <1 0 0> | <1 1 0> | 91.5 |
DyScO3 (mp-31120) | <1 1 1> | <1 1 0> | 274.6 |
ZnSe (mp-1190) | <1 0 0> | <1 0 0> | 264.2 |
ZnSe (mp-1190) | <1 1 1> | <0 0 1> | 178.7 |
SiO2 (mp-6930) | <0 0 1> | <1 1 0> | 213.6 |
SiO2 (mp-6930) | <1 0 0> | <1 0 1> | 186.1 |
SiO2 (mp-6930) | <1 1 1> | <1 0 0> | 299.5 |
KCl (mp-23193) | <1 0 0> | <1 1 0> | 122.0 |
KCl (mp-23193) | <1 1 0> | <1 0 0> | 176.2 |
KTaO3 (mp-3614) | <1 1 1> | <1 1 0> | 274.6 |
DyScO3 (mp-31120) | <0 1 1> | <1 0 0> | 52.8 |
DyScO3 (mp-31120) | <1 0 1> | <1 1 1> | 159.1 |
DyScO3 (mp-31120) | <1 1 0> | <1 0 0> | 264.2 |
InAs (mp-20305) | <1 1 0> | <1 0 0> | 334.7 |
Te2W (mp-22693) | <0 1 1> | <1 0 0> | 229.0 |
Te2W (mp-22693) | <1 0 0> | <1 0 0> | 299.5 |
Te2W (mp-22693) | <1 0 1> | <1 0 0> | 105.7 |
ZnSe (mp-1190) | <1 1 0> | <1 1 0> | 91.5 |
KTaO3 (mp-3614) | <1 0 0> | <1 1 0> | 244.1 |
KTaO3 (mp-3614) | <1 1 0> | <1 1 0> | 91.5 |
InP (mp-20351) | <1 1 0> | <1 0 0> | 299.5 |
InP (mp-20351) | <1 1 1> | <0 0 1> | 178.7 |
Te2W (mp-22693) | <0 0 1> | <1 1 1> | 198.9 |
CdWO4 (mp-19387) | <0 1 0> | <1 1 0> | 152.6 |
CdWO4 (mp-19387) | <0 1 1> | <1 0 0> | 281.8 |
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 |
---|---|---|---|
LiFeAs (mp-1018785) | 0.2816 | 0.526 | 3 |
LiMg2Al (mp-1015814) | 0.3154 | 0.331 | 3 |
NdCd2 (mp-1062206) | 0.1188 | 0.430 | 2 |
TmCd2 (mp-1008673) | 0.0363 | 0.418 | 2 |
ErCd2 (mp-1063156) | 0.0727 | 0.426 | 2 |
SmHg2 (mp-1008777) | 0.1389 | 0.322 | 2 |
LuCd2 (mp-1008910) | 0.0233 | 0.405 | 2 |
Si (mp-34) | 0.4652 | 0.305 | 1 |
Zr (mp-1056376) | 0.2709 | 0.362 | 1 |
Mg (mp-1055956) | 0.3025 | 0.237 | 1 |
U (mp-1076920) | 0.2797 | 0.385 | 1 |
Fe (mp-1096950) | 0.3609 | 0.477 | 1 |
Run TypeGGA |
Energy Cutoff520 eV |
# of K-pointsNone |
U Values-- |
PseudopotentialsVASP PAW: Ho_3 Cd |
Final Energy/Atom-2.0167 eV |
Corrected Energy-6.0500 eV
-6.0500 eV = -6.0500 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)