Final Magnetic Moment0.000 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-0.323 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.150 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. |
Density6.00 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToZnTe |
Band Gap0.288 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 MauguinP6422 [181] |
HallP 64 2c (0 0 1) |
Point Group622 |
Crystal Systemhexagonal |
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> | 311.2 |
AlN (mp-661) | <1 0 0> | <0 0 1> | 327.6 |
AlN (mp-661) | <1 1 0> | <0 0 1> | 196.6 |
CeO2 (mp-20194) | <1 1 0> | <1 1 0> | 294.6 |
CeO2 (mp-20194) | <1 1 1> | <0 0 1> | 49.1 |
GaAs (mp-2534) | <1 1 0> | <0 0 1> | 327.6 |
AlN (mp-661) | <0 0 1> | <0 0 1> | 114.7 |
AlN (mp-661) | <1 0 1> | <0 0 1> | 196.6 |
AlN (mp-661) | <1 1 1> | <1 0 1> | 227.8 |
GaN (mp-804) | <0 0 1> | <0 0 1> | 65.5 |
CeO2 (mp-20194) | <1 0 0> | <0 0 1> | 147.4 |
GaN (mp-804) | <1 0 0> | <0 0 1> | 344.0 |
GaN (mp-804) | <1 1 1> | <1 0 0> | 297.6 |
SiO2 (mp-6930) | <0 0 1> | <0 0 1> | 65.5 |
SiO2 (mp-6930) | <1 0 0> | <1 0 0> | 212.6 |
SiO2 (mp-6930) | <1 0 1> | <0 0 1> | 327.6 |
BaF2 (mp-1029) | <1 0 0> | <0 0 1> | 196.6 |
BaF2 (mp-1029) | <1 1 1> | <0 0 1> | 65.5 |
KCl (mp-23193) | <1 1 1> | <0 0 1> | 212.9 |
GaN (mp-804) | <1 0 1> | <1 0 1> | 227.8 |
SiO2 (mp-6930) | <1 1 0> | <0 0 1> | 327.6 |
SiO2 (mp-6930) | <1 1 1> | <0 0 1> | 163.8 |
KCl (mp-23193) | <1 0 0> | <0 0 1> | 344.0 |
DyScO3 (mp-31120) | <0 0 1> | <0 0 1> | 245.7 |
DyScO3 (mp-31120) | <0 1 1> | <1 0 0> | 212.6 |
DyScO3 (mp-31120) | <1 0 1> | <1 0 0> | 170.1 |
DyScO3 (mp-31120) | <1 1 1> | <1 0 0> | 212.6 |
ZnSe (mp-1190) | <1 1 0> | <0 0 1> | 327.6 |
InAs (mp-20305) | <1 0 0> | <0 0 1> | 262.1 |
InAs (mp-20305) | <1 1 0> | <0 0 1> | 262.1 |
InAs (mp-20305) | <1 1 1> | <0 0 1> | 65.5 |
KTaO3 (mp-3614) | <1 0 0> | <1 0 0> | 212.6 |
KTaO3 (mp-3614) | <1 1 0> | <1 0 0> | 297.6 |
CdS (mp-672) | <0 0 1> | <0 0 1> | 196.6 |
CdS (mp-672) | <1 0 0> | <1 0 1> | 227.8 |
KTaO3 (mp-3614) | <1 1 1> | <0 0 1> | 114.7 |
LiF (mp-1138) | <1 1 0> | <1 0 0> | 212.6 |
LiF (mp-1138) | <1 1 1> | <0 0 1> | 114.7 |
CdS (mp-672) | <1 1 1> | <1 0 0> | 255.1 |
Te2W (mp-22693) | <0 0 1> | <1 0 0> | 340.1 |
YVO4 (mp-19133) | <1 0 1> | <1 0 0> | 212.6 |
TePb (mp-19717) | <1 1 0> | <0 0 1> | 245.7 |
Te2W (mp-22693) | <0 1 0> | <1 0 0> | 170.1 |
Te2W (mp-22693) | <0 1 1> | <1 0 1> | 182.2 |
Te2W (mp-22693) | <1 0 0> | <1 1 0> | 294.6 |
Te2Mo (mp-602) | <0 0 1> | <0 0 1> | 147.4 |
Te2Mo (mp-602) | <1 0 0> | <0 0 1> | 262.1 |
Ag (mp-124) | <1 0 0> | <0 0 1> | 344.0 |
Ag (mp-124) | <1 1 0> | <1 0 1> | 273.4 |
YVO4 (mp-19133) | <1 1 0> | <1 0 1> | 136.7 |
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 |
---|---|---|---|
MoN (mp-999503) | 0.5356 | 0.248 | 2 |
DySe (mp-7132) | 0.5005 | 0.514 | 2 |
SN (mp-1066821) | 0.5144 | 1.009 | 2 |
CdTe (mp-1492) | 0.0804 | 0.110 | 2 |
ZnTe (mp-1071319) | 0.2563 | 0.152 | 2 |
Pu (mp-571261) | 0.2623 | 0.000 | 1 |
Si (mp-1072544) | 0.4430 | 0.220 | 1 |
Ge (mp-137) | 0.5320 | 0.238 | 1 |
Explore more synthesis descriptions for materials of composition ZnTe.
Text computed by synthesisproject.org.
Run TypeGGA |
Energy Cutoff520 eV |
# of K-pointsNone |
U Values-- |
PseudopotentialsVASP PAW: Zn Te |
Final Energy/Atom-2.5246 eV |
Corrected Energy-15.1474 eV
-15.1474 eV = -15.1474 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)