Final Magnetic Moment14.000 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-1.799 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.060 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. |
Density4.86 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToFe3O4 |
Band Gap0.925 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%)
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] |
---|---|---|---|
GaAs (mp-2534) | <1 0 0> | <0 0 1> | 296.4 |
GaN (mp-804) | <1 0 1> | <0 0 1> | 296.4 |
AlN (mp-661) | <0 0 1> | <0 0 1> | 296.4 |
AlN (mp-661) | <1 0 0> | <0 1 1> | 110.5 |
CeO2 (mp-20194) | <1 0 0> | <0 0 1> | 148.2 |
BaF2 (mp-1029) | <1 0 0> | <0 0 1> | 333.5 |
DyScO3 (mp-31120) | <1 1 0> | <0 0 1> | 333.5 |
GaN (mp-804) | <0 0 1> | <0 0 1> | 185.3 |
GaN (mp-804) | <1 0 0> | <0 0 1> | 185.3 |
GaN (mp-804) | <1 1 1> | <0 0 1> | 148.2 |
SiO2 (mp-6930) | <0 0 1> | <1 1 1> | 152.1 |
SiO2 (mp-6930) | <1 1 1> | <0 0 1> | 259.4 |
KCl (mp-23193) | <1 0 0> | <0 0 1> | 333.5 |
InAs (mp-20305) | <1 1 0> | <0 1 0> | 104.1 |
KTaO3 (mp-3614) | <1 0 0> | <0 0 1> | 148.2 |
CdS (mp-672) | <0 0 1> | <0 0 1> | 185.3 |
LiF (mp-1138) | <1 0 0> | <0 0 1> | 148.2 |
LiF (mp-1138) | <1 1 0> | <0 1 0> | 208.3 |
InAs (mp-20305) | <1 0 0> | <0 0 1> | 37.1 |
InAs (mp-20305) | <1 1 1> | <0 0 1> | 333.5 |
ZnSe (mp-1190) | <1 0 0> | <0 0 1> | 296.4 |
KTaO3 (mp-3614) | <1 1 0> | <0 1 0> | 208.3 |
CdS (mp-672) | <1 0 1> | <0 0 1> | 259.4 |
Te2Mo (mp-602) | <1 1 0> | <0 0 1> | 185.3 |
Te2Mo (mp-602) | <1 1 1> | <0 0 1> | 185.3 |
TePb (mp-19717) | <1 0 0> | <0 0 1> | 333.5 |
Te2Mo (mp-602) | <0 0 1> | <0 1 1> | 110.5 |
Ag (mp-124) | <1 1 0> | <0 1 1> | 221.1 |
Ag (mp-124) | <1 0 0> | <0 0 1> | 296.4 |
BN (mp-984) | <0 0 1> | <0 0 1> | 259.4 |
BN (mp-984) | <1 1 0> | <0 0 1> | 259.4 |
BN (mp-984) | <1 0 0> | <0 0 1> | 296.4 |
BN (mp-984) | <1 0 1> | <0 0 1> | 222.3 |
Bi2Se3 (mp-541837) | <0 0 1> | <0 0 1> | 185.3 |
Al (mp-134) | <1 0 0> | <0 0 1> | 148.2 |
LiGaO2 (mp-5854) | <1 0 1> | <0 0 1> | 222.3 |
Bi2Se3 (mp-541837) | <1 0 0> | <0 0 1> | 259.4 |
MoS2 (mp-1434) | <0 0 1> | <0 0 1> | 185.3 |
Al (mp-134) | <1 1 0> | <0 1 0> | 208.3 |
CdTe (mp-406) | <1 0 0> | <0 0 1> | 185.3 |
TeO2 (mp-2125) | <0 1 0> | <0 1 0> | 208.3 |
TeO2 (mp-2125) | <1 0 0> | <0 1 0> | 208.3 |
TeO2 (mp-2125) | <1 1 0> | <0 0 1> | 296.4 |
SiC (mp-7631) | <0 0 1> | <0 0 1> | 333.5 |
SiC (mp-7631) | <1 0 1> | <0 0 1> | 185.3 |
LiGaO2 (mp-5854) | <0 1 1> | <0 0 1> | 222.3 |
TeO2 (mp-2125) | <0 0 1> | <0 0 1> | 296.4 |
SiC (mp-7631) | <1 0 0> | <0 0 1> | 185.3 |
GdScO3 (mp-5690) | <1 1 0> | <0 0 1> | 333.5 |
Mg (mp-153) | <0 0 1> | <0 0 1> | 185.3 |
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 |
---|---|---|---|
Fe2CoO4 (mp-705957) | 0.1234 | 0.080 | 3 |
Fe13(SnO10)2 (mp-863767) | 0.1217 | 0.610 | 3 |
Zn9Fe15O32 (mp-769416) | 0.1219 | 0.587 | 3 |
LiFe23O32 (mp-773719) | 0.1252 | 0.059 | 3 |
InFe11O16 (mp-765206) | 0.1140 | 0.071 | 3 |
LiZn6Fe17O32 (mp-771348) | 0.1521 | 0.091 | 4 |
LiZn4Fe13O24 (mp-769606) | 0.1642 | 0.084 | 4 |
Li3Mg2Fe19O32 (mp-771996) | 0.1545 | 0.068 | 4 |
LiZn2Fe9O16 (mp-771993) | 0.1675 | 0.069 | 4 |
Li3Zn(Fe5O8)4 (mp-771780) | 0.1566 | 0.068 | 4 |
Fe3O4 (mp-715491) | 0.1364 | 0.017 | 2 |
Fe3O4 (mp-542433) | 0.0963 | 0.075 | 2 |
Fe3O4 (mp-31770) | 0.1531 | 0.017 | 2 |
Fe3O4 (mp-715558) | 0.1497 | 0.785 | 2 |
Fe3O4 (mp-716052) | 0.1535 | 0.781 | 2 |
Li4Fe3Cu3(SbO8)2 (mp-764385) | 0.2539 | 6.460 | 5 |
Li4Cr3Ni3(TeO8)2 (mp-761407) | 0.2555 | 0.179 | 5 |
Li4Mn3Fe3(SbO8)2 (mp-775013) | 0.2553 | 6.473 | 5 |
Li4Al3Cr3(SbO8)2 (mp-770625) | 0.2504 | 0.001 | 5 |
Li4Cr3Fe3(TeO8)2 (mp-773518) | 0.2417 | 0.054 | 5 |
Li3MnFeCo(PO4)3 (mp-764931) | 0.6870 | 0.017 | 6 |
Li3MnFeCo(PO4)3 (mp-764809) | 0.6726 | 0.014 | 6 |
Li3MnFeCo(PO4)3 (mp-764869) | 0.6827 | 0.032 | 6 |
Li3MnFeCo(PO4)3 (mp-764969) | 0.6834 | 0.057 | 6 |
Li3MnFeCo(PO4)3 (mp-764870) | 0.6879 | 0.466 | 6 |
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-6.6835 eV |
Corrected Energy-450.4045 eV
Uncorrected energy = -374.2765 eV
Composition-based energy adjustment (-0.687 eV/atom x 32.0 atoms) = -21.9840 eV
Composition-based energy adjustment (-2.256 eV/atom x 24.0 atoms) = -54.1440 eV
Corrected energy = -450.4045 eV
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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)