Final Magnetic Moment1.000 μBCalculated total magnetic moment for the unit cell within the magnetic ordering provided (see below). Typically accurate to the second digit. |
Magnetic OrderingFiM |
Formation Energy / Atom-1.744 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.114 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. |
Density4.85 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToFe3O4 |
Band Gap0.368 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 MauguinPbcm [57] |
Hall-P 2c 2b |
Point Groupmmm |
Crystal Systemorthorhombic |
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] |
---|---|---|---|
AlN (mp-661) | <1 0 1> | <0 1 0> | 126.1 |
GaAs (mp-2534) | <1 0 0> | <0 0 1> | 333.3 |
BaF2 (mp-1029) | <1 1 0> | <0 1 0> | 283.7 |
GaN (mp-804) | <0 0 1> | <0 1 1> | 306.0 |
SiO2 (mp-6930) | <0 0 1> | <0 0 1> | 333.3 |
SiO2 (mp-6930) | <1 0 0> | <1 0 1> | 109.5 |
SiO2 (mp-6930) | <1 1 0> | <0 0 1> | 333.3 |
KCl (mp-23193) | <1 1 0> | <0 1 0> | 283.7 |
KCl (mp-23193) | <1 1 1> | <0 1 0> | 283.7 |
DyScO3 (mp-31120) | <0 1 1> | <1 0 1> | 109.5 |
InAs (mp-20305) | <1 1 0> | <0 1 0> | 157.6 |
ZnSe (mp-1190) | <1 0 0> | <0 0 1> | 333.3 |
ZnSe (mp-1190) | <1 1 1> | <0 1 0> | 220.6 |
KTaO3 (mp-3614) | <1 1 0> | <1 0 0> | 210.4 |
CdS (mp-672) | <1 0 0> | <0 0 1> | 272.7 |
Te2W (mp-22693) | <0 0 1> | <0 0 1> | 363.6 |
YVO4 (mp-19133) | <0 0 1> | <1 0 0> | 105.2 |
TePb (mp-19717) | <1 0 0> | <1 1 0> | 219.7 |
TePb (mp-19717) | <1 1 1> | <0 1 0> | 283.7 |
Te2Mo (mp-602) | <0 0 1> | <0 0 1> | 121.2 |
Te2Mo (mp-602) | <1 0 0> | <0 1 0> | 157.6 |
Ag (mp-124) | <1 0 0> | <0 1 1> | 87.4 |
Ag (mp-124) | <1 1 0> | <0 1 0> | 126.1 |
AlN (mp-661) | <0 0 1> | <0 0 1> | 333.3 |
AlN (mp-661) | <1 0 0> | <0 0 1> | 272.7 |
AlN (mp-661) | <1 1 0> | <1 0 1> | 109.5 |
AlN (mp-661) | <1 1 1> | <0 1 0> | 220.6 |
Bi2Te3 (mp-34202) | <0 0 1> | <0 1 0> | 126.1 |
GaSe (mp-1943) | <0 0 1> | <0 1 1> | 306.0 |
GaAs (mp-2534) | <1 1 1> | <0 1 0> | 220.6 |
BaF2 (mp-1029) | <1 1 1> | <0 0 1> | 272.7 |
GaN (mp-804) | <1 0 0> | <0 0 1> | 181.8 |
GaN (mp-804) | <1 0 1> | <0 1 1> | 174.9 |
GaN (mp-804) | <1 1 0> | <0 1 0> | 283.7 |
SiO2 (mp-6930) | <1 1 1> | <0 1 1> | 306.0 |
BN (mp-984) | <0 0 1> | <0 1 0> | 283.7 |
BN (mp-984) | <1 0 0> | <0 0 1> | 151.5 |
BN (mp-984) | <1 0 1> | <0 0 1> | 272.7 |
BN (mp-984) | <1 1 0> | <0 0 1> | 242.4 |
BN (mp-984) | <1 1 1> | <0 0 1> | 303.0 |
DyScO3 (mp-31120) | <1 0 1> | <0 0 1> | 333.3 |
DyScO3 (mp-31120) | <1 1 1> | <1 0 0> | 210.4 |
InAs (mp-20305) | <1 0 0> | <0 0 1> | 181.8 |
LiNbO3 (mp-3731) | <0 0 1> | <0 1 0> | 94.6 |
LiNbO3 (mp-3731) | <1 0 0> | <0 1 0> | 220.6 |
LiNbO3 (mp-3731) | <1 1 0> | <0 1 1> | 131.2 |
Bi2Se3 (mp-541837) | <0 0 1> | <0 1 1> | 306.0 |
KTaO3 (mp-3614) | <1 0 0> | <0 0 1> | 242.4 |
CdS (mp-672) | <0 0 1> | <0 1 1> | 306.0 |
CdS (mp-672) | <1 1 0> | <0 1 1> | 306.0 |
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 |
---|---|---|---|
Li4FeF8 (mp-778245) | 0.6416 | 0.263 | 3 |
Li2VF4 (mp-765541) | 0.6718 | 0.065 | 3 |
Li6Bi5O14 (mp-769010) | 0.6546 | 0.073 | 3 |
NaMn8O16 (mp-1003638) | 0.6374 | 0.000 | 3 |
NaMn8O16 (mp-1097910) | 0.6344 | 0.000 | 3 |
Fe3O4 (mp-715310) | 0.1809 | 0.114 | 2 |
LiTi3Nb(CuO4)3 (mp-849772) | 0.7043 | 0.081 | 5 |
Explore more synthesis descriptions for materials of composition Fe3O4.
Text computed by synthesisproject.org.
Run TypeGGA+U |
Energy Cutoff520 eV |
# of K-pointsNone |
U ValuesFe: 5.3 eV |
PseudopotentialsVASP PAW: Fe_pv O |
Final Energy/Atom-6.6288 eV |
Corrected Energy-229.6399 eV
-229.6399 eV = -185.6073 eV (uncorrected energy) - 32.7960 eV (MP Advanced Correction) - 11.2366 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)