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 OrderingAFM |
Formation Energy / Atom-2.565 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.079 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. |
Density3.39 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToLiMnPO4 |
Band Gap3.379 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 MauguinAma2 [40] |
HallA 2 2a |
Point Groupmm2 |
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.
Apply Gaussian smoothing:
Download spectra for every symmetrically equivalent absorption site in the structure.
Download FEFF Input parameters.
substrate material | substrate orientation | film orientation | MCIA† [Å2] |
---|---|---|---|
LaAlO3 (mp-2920) | <0 0 1> | <1 0 0> | 313.2 |
LaAlO3 (mp-2920) | <1 1 0> | <1 0 0> | 125.3 |
AlN (mp-661) | <0 0 1> | <0 0 1> | 158.8 |
AlN (mp-661) | <1 0 0> | <0 1 0> | 47.0 |
AlN (mp-661) | <1 0 1> | <0 1 1> | 283.8 |
AlN (mp-661) | <1 1 0> | <0 0 1> | 158.8 |
AlN (mp-661) | <1 1 1> | <0 1 0> | 235.2 |
CeO2 (mp-20194) | <1 0 0> | <0 1 0> | 235.2 |
CeO2 (mp-20194) | <1 1 0> | <1 0 0> | 125.3 |
CeO2 (mp-20194) | <1 1 1> | <1 0 0> | 250.6 |
GaAs (mp-2534) | <1 1 0> | <1 1 0> | 235.0 |
GaAs (mp-2534) | <1 1 1> | <1 1 0> | 235.0 |
BaF2 (mp-1029) | <1 0 0> | <0 1 0> | 188.2 |
GaN (mp-804) | <0 0 1> | <0 1 0> | 188.2 |
GaN (mp-804) | <1 0 0> | <0 0 1> | 190.6 |
GaN (mp-804) | <1 0 1> | <0 0 1> | 158.8 |
GaN (mp-804) | <1 1 0> | <1 1 0> | 235.0 |
GaN (mp-804) | <1 1 1> | <0 1 0> | 235.2 |
SiO2 (mp-6930) | <0 0 1> | <0 1 1> | 170.3 |
SiO2 (mp-6930) | <1 0 0> | <0 0 1> | 158.8 |
SiO2 (mp-6930) | <1 0 1> | <0 1 0> | 141.1 |
KCl (mp-23193) | <1 0 0> | <1 0 0> | 125.3 |
KCl (mp-23193) | <1 1 0> | <0 0 1> | 285.9 |
DyScO3 (mp-31120) | <0 1 0> | <1 1 0> | 313.4 |
DyScO3 (mp-31120) | <0 1 1> | <1 1 0> | 156.7 |
DyScO3 (mp-31120) | <1 0 0> | <1 1 0> | 235.0 |
DyScO3 (mp-31120) | <1 0 1> | <0 1 0> | 282.3 |
DyScO3 (mp-31120) | <1 1 0> | <1 1 0> | 313.4 |
InAs (mp-20305) | <1 0 0> | <0 1 0> | 188.2 |
ZnSe (mp-1190) | <1 1 0> | <1 1 0> | 235.0 |
ZnSe (mp-1190) | <1 1 1> | <1 1 0> | 235.0 |
KTaO3 (mp-3614) | <1 0 0> | <0 0 1> | 254.1 |
KTaO3 (mp-3614) | <1 1 0> | <1 1 0> | 235.0 |
KTaO3 (mp-3614) | <1 1 1> | <0 0 1> | 190.6 |
CdS (mp-672) | <1 0 0> | <0 0 1> | 285.9 |
CdS (mp-672) | <1 0 1> | <1 1 0> | 235.0 |
CdS (mp-672) | <1 1 1> | <0 0 1> | 158.8 |
LiF (mp-1138) | <1 0 0> | <1 1 0> | 235.0 |
LiF (mp-1138) | <1 1 0> | <1 1 0> | 235.0 |
LiF (mp-1138) | <1 1 1> | <0 0 1> | 254.1 |
Te2W (mp-22693) | <0 0 1> | <0 0 1> | 158.8 |
Te2W (mp-22693) | <0 1 1> | <0 1 0> | 235.2 |
Te2W (mp-22693) | <1 0 1> | <1 0 1> | 210.7 |
YVO4 (mp-19133) | <0 0 1> | <1 0 0> | 313.2 |
YVO4 (mp-19133) | <1 0 0> | <0 0 1> | 95.3 |
YVO4 (mp-19133) | <1 0 1> | <0 1 0> | 141.1 |
TePb (mp-19717) | <1 0 0> | <1 0 0> | 125.3 |
Te2Mo (mp-602) | <0 0 1> | <0 1 1> | 283.8 |
Ag (mp-124) | <1 0 0> | <0 0 1> | 254.1 |
Ag (mp-124) | <1 1 0> | <0 1 1> | 283.8 |
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.
Once you have registered you can also "vote" for full calculation of this material's elastic properties.
material | dissimilarity | Ehull | # of elements |
---|---|---|---|
Rb2MgH4 (mp-974586) | 0.5702 | 0.083 | 3 |
Na2FeO4 (mp-775050) | 0.5198 | 0.141 | 3 |
Li5BO4 (mp-768967) | 0.5220 | 0.034 | 3 |
Cr(AgO2)2 (mp-557056) | 0.5677 | 0.023 | 3 |
Mn2PO5 (mp-770592) | 0.5315 | 0.008 | 3 |
Li2CrPO6 (mp-779944) | 0.3989 | 0.086 | 4 |
LiFePO4 (mp-765910) | 0.3605 | 0.094 | 4 |
LiCrPO4 (mp-772700) | 0.2856 | 0.092 | 4 |
Li2VPO6 (mp-617172) | 0.4038 | 0.014 | 4 |
LiMnPO4 (mp-540475) | 0.4075 | 0.046 | 4 |
Li2CrSn(PO4)2 (mp-761289) | 0.5470 | 0.065 | 5 |
Na2LiVPO6 (mp-763825) | 0.5975 | 0.094 | 5 |
Li4MnSn3(PO4)4 (mp-772661) | 0.5912 | 0.062 | 5 |
Li2CrPO4F (mp-763733) | 0.5801 | 0.027 | 5 |
Li4NiSn3(PO4)4 (mp-776804) | 0.6025 | 0.087 | 5 |
Li4Mn3NbV2(PO4)6 (mp-770640) | 0.7440 | 0.096 | 6 |
Li2Mg2MnFe(PO4)4 (mp-849669) | 0.7168 | 0.008 | 6 |
Na3Zn4P4H4NO16 (mp-772852) | 0.7451 | 0.005 | 6 |
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-7.1061 eV |
Corrected Energy-108.4650 eV
-108.4650 eV = -99.4849 eV (uncorrected energy) - 5.6183 eV (MP Anion Correction) - 3.3617 eV (MP Advanced Correction)
|
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)