Final Magnetic Moment0.071 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-1.907 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.737 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. |
Density2.80 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToLiMnPO4 |
Band Gap3.559 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 MauguinCc [9] |
HallC 2yc |
Point Groupm |
Crystal Systemmonoclinic |
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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substrate material | substrate orientation | film orientation | MCIA† [Å2] |
---|---|---|---|
KTaO3 (mp-3614) | <1 1 1> | <1 0 0> | 169.3 |
YVO4 (mp-19133) | <1 1 1> | <1 0 0> | 169.3 |
Ag (mp-124) | <1 1 1> | <0 0 1> | 179.8 |
C (mp-66) | <1 1 0> | <0 0 1> | 179.8 |
Al (mp-134) | <1 1 1> | <1 0 0> | 169.3 |
LiGaO2 (mp-5854) | <0 0 1> | <1 0 0> | 169.3 |
LiGaO2 (mp-5854) | <0 1 1> | <1 0 0> | 169.3 |
Ni (mp-23) | <1 1 1> | <1 0 0> | 169.3 |
Au (mp-81) | <1 1 1> | <0 0 1> | 179.8 |
CaCO3 (mp-3953) | <1 0 0> | <1 0 0> | 169.3 |
ZnO (mp-2133) | <0 0 1> | <1 0 0> | 169.3 |
Cu (mp-30) | <1 1 1> | <0 0 1> | 179.8 |
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 |
---|---|---|---|
Zn2SiO4 (mp-3789) | 0.3848 | 0.000 | 3 |
Na2CrO4 (mp-764193) | 0.3792 | 0.018 | 3 |
Li2CrO4 (mp-24920) | 0.3907 | 0.000 | 3 |
Li2SO4 (mp-4556) | 0.3065 | 0.000 | 3 |
Li2BeF4 (mp-4622) | 0.3618 | 0.000 | 3 |
LiFePO4 (mp-694615) | 0.1104 | 0.556 | 4 |
LiMnPO4 (mp-861482) | 0.1288 | 0.011 | 4 |
LiCoPO4 (mp-863863) | 0.1380 | 0.011 | 4 |
LiMnPO4 (mp-585432) | 0.0252 | 0.186 | 4 |
LiFePO4 (mp-585433) | 0.1502 | 0.795 | 4 |
BN (mp-1077506) | 0.7103 | 0.302 | 2 |
SiC2 (mp-1019097) | 0.5351 | 0.562 | 2 |
CN2 (mp-1077595) | 0.7070 | 0.691 | 2 |
CN2 (mp-1009818) | 0.7385 | 0.714 | 2 |
Li4Ga3Si3IO12 (mp-557112) | 0.5082 | 0.000 | 5 |
Li4Ga3Si3ClO12 (mp-554203) | 0.5524 | 0.000 | 5 |
Li4Ga3Si3BrO12 (mp-556649) | 0.5331 | 0.000 | 5 |
Mn4Be3Ge3SeO12 (mp-25766) | 0.5997 | 0.000 | 5 |
Mn4Be3Ge3SO12 (mp-25772) | 0.6020 | 0.000 | 5 |
Na2Li2Al3Si3ClO12 (mp-43030) | 0.5887 | 0.003 | 6 |
C (mp-568410) | 0.6377 | 0.507 | 1 |
C (mp-1008374) | 0.6898 | 0.437 | 1 |
Explore more synthesis descriptions for materials of composition LiMnPO4.
Text computed by synthesisproject.org.
Run TypeGGA+U |
Energy Cutoff520 eV |
# of K-pointsNone |
U ValuesMn: 3.9 eV |
PseudopotentialsVASP PAW: Li_sv Mn_pv P O |
Final Energy/Atom-6.4477 eV |
Corrected Energy-793.9805 eV
-793.9805 eV = -722.1403 eV (uncorrected energy) - 44.9466 eV (MP Anion Correction) - 26.8936 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)