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-2.142 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.016 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. |
Density6.80 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToVBiO4 |
Band Gap2.333 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 MauguinC2/c [15] |
Hall-C 2yc |
Point Group2/m |
Crystal Systemmonoclinic |
Topological Classificationtrivial*
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SubclassificationLCEBR†
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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 | elastic energy [meV] | MCIA† [Å2] |
---|---|---|---|---|
TePb (mp-19717) | <1 0 0> | <0 1 0> | 0.005 | 215.4 |
GaP (mp-2490) | <1 0 0> | <0 1 0> | 0.005 | 242.3 |
PbSe (mp-2201) | <1 0 0> | <0 1 0> | 0.009 | 350.0 |
Mg (mp-153) | <1 1 1> | <0 1 0> | 0.015 | 242.3 |
CaF2 (mp-2741) | <1 0 0> | <0 1 0> | 0.018 | 242.3 |
TiO2 (mp-2657) | <0 0 1> | <0 1 0> | 0.019 | 107.7 |
GaSb (mp-1156) | <1 0 0> | <0 1 0> | 0.023 | 350.0 |
C (mp-48) | <1 1 1> | <1 0 0> | 0.026 | 304.2 |
CdSe (mp-2691) | <1 0 0> | <0 1 0> | 0.039 | 350.0 |
Ga2O3 (mp-886) | <1 0 0> | <1 0 0> | 0.044 | 182.5 |
MgAl2O4 (mp-3536) | <1 0 0> | <0 1 0> | 0.046 | 134.6 |
C (mp-48) | <1 0 1> | <0 0 1> | 0.048 | 258.7 |
C (mp-66) | <1 0 0> | <0 1 0> | 0.052 | 215.4 |
WS2 (mp-224) | <1 0 0> | <1 0 0> | 0.052 | 182.5 |
LiF (mp-1138) | <1 0 0> | <0 1 0> | 0.056 | 134.6 |
C (mp-48) | <1 0 0> | <0 0 1> | 0.056 | 172.5 |
LiAlO2 (mp-3427) | <1 1 1> | <0 1 1> | 0.057 | 271.1 |
ZnO (mp-2133) | <1 0 1> | <1 1 0> | 0.058 | 199.6 |
NdGaO3 (mp-3196) | <1 1 0> | <0 1 0> | 0.062 | 242.3 |
SiC (mp-11714) | <0 0 1> | <0 1 0> | 0.064 | 296.1 |
Fe2O3 (mp-24972) | <1 0 0> | <0 1 0> | 0.066 | 215.4 |
SiC (mp-7631) | <0 0 1> | <0 1 0> | 0.070 | 296.1 |
Ni (mp-23) | <1 1 0> | <0 1 0> | 0.078 | 296.1 |
LiTaO3 (mp-3666) | <1 0 0> | <0 1 0> | 0.079 | 215.4 |
MoS2 (mp-1434) | <1 0 0> | <0 1 1> | 0.090 | 271.1 |
ZrO2 (mp-2858) | <0 1 0> | <1 0 0> | 0.092 | 304.2 |
LiAlO2 (mp-3427) | <1 0 1> | <0 1 0> | 0.104 | 215.4 |
Si (mp-149) | <1 0 0> | <0 1 0> | 0.105 | 242.3 |
MgF2 (mp-1249) | <1 0 0> | <0 1 0> | 0.107 | 215.4 |
CeO2 (mp-20194) | <1 0 0> | <0 1 0> | 0.112 | 242.3 |
Ge (mp-32) | <1 0 0> | <0 1 0> | 0.114 | 134.6 |
Mg (mp-153) | <1 0 0> | <1 1 0> | 0.123 | 66.5 |
LiAlO2 (mp-3427) | <1 0 0> | <1 1 0> | 0.129 | 66.5 |
LiAlO2 (mp-3427) | <1 1 0> | <0 1 0> | 0.132 | 323.1 |
LaF3 (mp-905) | <1 0 0> | <0 1 0> | 0.135 | 53.8 |
GaN (mp-804) | <1 0 0> | <1 1 0> | 0.135 | 66.5 |
GdScO3 (mp-5690) | <0 0 1> | <0 0 1> | 0.140 | 258.7 |
Fe2O3 (mp-24972) | <1 0 1> | <0 1 0> | 0.145 | 296.1 |
Ge(Bi3O5)4 (mp-23352) | <1 0 0> | <0 1 0> | 0.151 | 107.7 |
LiGaO2 (mp-5854) | <0 1 0> | <1 1 0> | 0.157 | 66.5 |
LiAlO2 (mp-3427) | <0 0 1> | <0 1 0> | 0.170 | 26.9 |
BN (mp-984) | <1 1 1> | <1 0 0> | 0.171 | 304.2 |
ZnTe (mp-2176) | <1 0 0> | <0 1 0> | 0.175 | 350.0 |
Mg (mp-153) | <1 1 0> | <1 1 0> | 0.179 | 199.6 |
ZrO2 (mp-2858) | <1 0 -1> | <0 1 0> | 0.180 | 107.7 |
Mg (mp-153) | <0 0 1> | <0 1 0> | 0.183 | 350.0 |
CdS (mp-672) | <0 0 1> | <0 1 0> | 0.189 | 296.1 |
InAs (mp-20305) | <1 0 0> | <0 1 0> | 0.198 | 350.0 |
LiNbO3 (mp-3731) | <1 0 1> | <1 0 0> | 0.199 | 304.2 |
GaAs (mp-2534) | <1 0 0> | <0 1 0> | 0.200 | 134.6 |
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 |
---|---|---|---|
GdAsO4 (mp-753911) | 0.0963 | 0.021 | 3 |
VBiO4 (mp-25122) | 0.0766 | 0.016 | 3 |
SmAsO4 (mp-13530) | 0.0782 | 0.020 | 3 |
NdAsO4 (mp-1095216) | 0.1006 | 0.018 | 3 |
SmVO4 (mp-1095337) | 0.0995 | 0.038 | 3 |
CaU(PO4)2 (mp-9360) | 0.4682 | 0.000 | 4 |
KEu(MoO4)2 (mp-647282) | 0.4760 | 0.000 | 4 |
CsPr(MoO4)2 (mp-649915) | 0.4527 | 0.000 | 4 |
Cr2AgBiO8 (mp-565669) | 0.2694 | 0.011 | 4 |
KEu(MoO4)2 (mp-566325) | 0.4286 | 0.000 | 4 |
TlCl2 (mp-27205) | 0.2117 | 0.000 | 2 |
TlBr2 (mp-27398) | 0.3521 | 0.000 | 2 |
InI2 (mp-29312) | 0.3463 | 0.000 | 2 |
InBr2 (mp-568108) | 0.2817 | 0.000 | 2 |
GaCl2 (mp-568848) | 0.2766 | 0.000 | 2 |
YZr5Si5PO24 (mp-532768) | 0.5772 | 0.014 | 5 |
KCaNd(PO4)2 (mp-676934) | 0.5251 | 0.000 | 5 |
Ca2YAs(WO6)2 (mp-562728) | 0.5504 | 0.000 | 5 |
K2BiMoPO8 (mp-566924) | 0.5755 | 0.000 | 5 |
K2BiPWO8 (mp-566769) | 0.5830 | 0.001 | 5 |
Explore more synthesis descriptions for materials of composition VBiO4.
Text computed by synthesisproject.org.
Run TypeGGA+U |
Energy Cutoff520 eV |
# of K-pointsNone |
U ValuesV: 3.25 eV |
PseudopotentialsVASP PAW: V_pv Bi O |
Final Energy/Atom-6.8543 eV |
Corrected Energy-91.2341 eV
-91.2341 eV = -82.2518 eV (uncorrected energy) - 5.6183 eV (MP Anion Correction) - 3.3640 eV (MP Advanced 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)