Final Magnetic Moment0.028 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 / Atom0.149 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. |
Density11.98 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToHgO |
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 MauguinFm3m [225] |
Hall-F 4 2 3 |
Point Groupm3m |
Crystal Systemcubic |
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> | <1 1 1> | 168.6 |
AlN (mp-661) | <1 0 0> | <1 0 0> | 121.7 |
AlN (mp-661) | <1 0 1> | <1 0 0> | 267.8 |
AlN (mp-661) | <1 1 0> | <1 1 0> | 137.7 |
CeO2 (mp-20194) | <1 0 0> | <1 0 0> | 121.7 |
GaAs (mp-2534) | <1 1 1> | <1 1 1> | 168.6 |
BaF2 (mp-1029) | <1 0 0> | <1 0 0> | 194.7 |
AlN (mp-661) | <0 0 1> | <1 0 0> | 194.7 |
GaAs (mp-2534) | <1 0 0> | <1 0 0> | 316.4 |
GaAs (mp-2534) | <1 1 0> | <1 1 0> | 137.7 |
ZnSe (mp-1190) | <1 1 1> | <1 1 1> | 168.6 |
CdS (mp-672) | <1 0 1> | <1 0 0> | 365.1 |
CdS (mp-672) | <1 1 0> | <1 1 0> | 103.3 |
LiF (mp-1138) | <1 1 1> | <1 0 0> | 146.1 |
Te2W (mp-22693) | <0 0 1> | <1 1 0> | 172.1 |
Te2W (mp-22693) | <0 1 0> | <1 1 1> | 210.8 |
Te2W (mp-22693) | <0 1 1> | <1 0 0> | 292.1 |
TePb (mp-19717) | <1 0 0> | <1 0 0> | 219.1 |
TePb (mp-19717) | <1 1 1> | <1 1 1> | 295.1 |
Te2Mo (mp-602) | <1 0 1> | <1 0 0> | 219.1 |
Ag (mp-124) | <1 0 0> | <1 1 1> | 210.8 |
Ag (mp-124) | <1 1 1> | <1 1 1> | 126.5 |
Bi2Te3 (mp-34202) | <0 0 1> | <1 0 0> | 316.4 |
BN (mp-984) | <1 0 0> | <1 0 0> | 267.8 |
BN (mp-984) | <1 0 1> | <1 1 0> | 241.0 |
Bi2Se3 (mp-541837) | <0 0 1> | <1 0 0> | 267.8 |
MoS2 (mp-1434) | <0 0 1> | <1 1 1> | 168.6 |
Al (mp-134) | <1 0 0> | <1 0 0> | 219.1 |
Al (mp-134) | <1 1 0> | <1 1 0> | 68.8 |
Al (mp-134) | <1 1 1> | <1 1 0> | 137.7 |
LiGaO2 (mp-5854) | <1 1 1> | <1 1 0> | 275.4 |
CdTe (mp-406) | <1 0 0> | <1 0 0> | 219.1 |
CdTe (mp-406) | <1 1 1> | <1 1 1> | 295.1 |
LiTaO3 (mp-3666) | <0 0 1> | <1 1 1> | 168.6 |
Fe3O4 (mp-19306) | <1 1 0> | <1 1 0> | 103.3 |
MgO (mp-1265) | <1 0 0> | <1 0 0> | 243.4 |
MgO (mp-1265) | <1 1 0> | <1 1 0> | 103.3 |
MgO (mp-1265) | <1 1 1> | <1 1 1> | 126.5 |
TiO2 (mp-2657) | <0 0 1> | <1 0 0> | 194.7 |
TiO2 (mp-2657) | <1 0 0> | <1 1 0> | 241.0 |
C (mp-66) | <1 1 1> | <1 0 0> | 170.4 |
GdScO3 (mp-5690) | <0 0 1> | <1 1 0> | 275.4 |
GdScO3 (mp-5690) | <0 1 0> | <1 0 0> | 365.1 |
GdScO3 (mp-5690) | <0 1 1> | <1 1 0> | 275.4 |
GdScO3 (mp-5690) | <1 1 0> | <1 0 0> | 121.7 |
Mg (mp-153) | <0 0 1> | <1 1 1> | 168.6 |
Mg (mp-153) | <1 0 0> | <1 0 0> | 292.1 |
Mg (mp-153) | <1 0 1> | <1 1 1> | 210.8 |
Mg (mp-153) | <1 1 0> | <1 1 0> | 172.1 |
Mg (mp-153) | <1 1 1> | <1 0 0> | 121.7 |
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 |
---|---|---|---|
AgBiSe2 (mp-33618) | 0.0159 | 0.054 | 3 |
LiSmSe2 (mp-35388) | 0.0258 | 0.000 | 3 |
GaCuSe2 (mp-38505) | 0.0262 | 0.236 | 3 |
LiBiS2 (mp-33526) | 0.0263 | 0.012 | 3 |
LiSbSe2 (mp-37480) | 0.0188 | 0.000 | 3 |
Mg30NiCO32 (mp-1098942) | 0.1275 | 0.176 | 4 |
LiNi5O5F (mp-765891) | 0.0826 | 0.155 | 4 |
LiNi3O3F (mp-765309) | 0.0868 | 0.070 | 4 |
Mg30NiCO32 (mp-1098940) | 0.1270 | 0.215 | 4 |
Mg30FeBO32 (mp-1037420) | 0.1270 | 0.163 | 4 |
KC (mp-1057017) | 0.0247 | 2.334 | 2 |
CdS (mp-370) | 0.0237 | 0.134 | 2 |
CrN (mp-2132) | 0.0280 | 0.048 | 2 |
CoO (mp-715461) | 0.0244 | 0.037 | 2 |
AgTe3 (mp-28246) | 0.0315 | 0.024 | 2 |
Se (mp-7755) | 0.1667 | 0.181 | 1 |
K (mp-998881) | 0.1678 | 0.120 | 1 |
Te (mp-10654) | 0.0597 | 0.047 | 1 |
U (mp-1056699) | 0.1749 | 0.166 | 1 |
S (mp-10869) | 0.1737 | 0.626 | 1 |
Explore more synthesis descriptions for materials of composition HgO.
Text computed by synthesisproject.org.
Run TypeGGA |
Energy Cutoff520 eV |
# of K-pointsNone |
U Values-- |
PseudopotentialsVASP PAW: Hg O |
Final Energy/Atom-2.7712 eV |
Corrected Energy-6.2447 eV
-6.2447 eV = -5.5424 eV (uncorrected energy) - 0.7023 eV (MP Anion Correction)
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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)