Final Magnetic Moment5.000 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-2.576 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.068 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. |
Density2.62 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToLiMnPO4 |
Band Gap3.427 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 MauguinP21/c [14] |
Hall-P 2ybc |
Point Group2/m |
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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Download spectra for every symmetrically equivalent absorption site in the structure.
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substrate material | substrate orientation | film orientation | MCIA† [Å2] |
---|---|---|---|
LaAlO3 (mp-2920) | <1 0 0> | <0 0 1> | 294.2 |
AlN (mp-661) | <1 0 1> | <0 0 1> | 126.1 |
GaAs (mp-2534) | <1 0 0> | <1 0 0> | 263.5 |
GaAs (mp-2534) | <1 1 1> | <1 0 1> | 113.5 |
GaN (mp-804) | <1 0 0> | <0 0 1> | 84.1 |
AlN (mp-661) | <0 0 1> | <0 1 0> | 193.6 |
AlN (mp-661) | <1 0 0> | <0 0 1> | 126.1 |
AlN (mp-661) | <1 1 0> | <0 0 1> | 84.1 |
SiO2 (mp-6930) | <0 0 1> | <0 1 0> | 338.8 |
SiO2 (mp-6930) | <1 0 0> | <0 0 1> | 84.1 |
SiO2 (mp-6930) | <1 0 1> | <0 0 1> | 210.2 |
DyScO3 (mp-31120) | <0 0 1> | <0 1 0> | 338.8 |
DyScO3 (mp-31120) | <1 0 1> | <1 1 -1> | 275.4 |
DyScO3 (mp-31120) | <1 1 0> | <1 0 0> | 263.5 |
GaAs (mp-2534) | <1 1 0> | <1 0 -1> | 234.0 |
GaN (mp-804) | <0 0 1> | <0 1 0> | 242.0 |
GaN (mp-804) | <1 0 1> | <0 1 1> | 192.3 |
GaN (mp-804) | <1 1 0> | <0 0 1> | 84.1 |
ZnSe (mp-1190) | <1 1 0> | <1 0 -1> | 234.0 |
KTaO3 (mp-3614) | <1 1 0> | <1 0 -1> | 234.0 |
KTaO3 (mp-3614) | <1 1 1> | <1 1 -1> | 275.4 |
SiO2 (mp-6930) | <1 1 0> | <0 0 1> | 336.3 |
KCl (mp-23193) | <1 1 0> | <0 1 0> | 290.4 |
CdS (mp-672) | <0 0 1> | <0 1 0> | 338.8 |
CdS (mp-672) | <1 0 1> | <0 0 1> | 126.1 |
CdS (mp-672) | <1 1 1> | <1 0 0> | 263.5 |
LiF (mp-1138) | <1 0 0> | <1 0 -1> | 234.0 |
DyScO3 (mp-31120) | <0 1 0> | <1 0 0> | 87.8 |
DyScO3 (mp-31120) | <0 1 1> | <0 1 1> | 320.5 |
DyScO3 (mp-31120) | <1 0 0> | <1 0 -1> | 234.0 |
ZnSe (mp-1190) | <1 0 0> | <1 0 0> | 263.5 |
ZnSe (mp-1190) | <1 1 1> | <1 0 1> | 113.5 |
Te2W (mp-22693) | <0 0 1> | <1 1 0> | 200.6 |
Te2W (mp-22693) | <0 1 1> | <0 0 1> | 168.1 |
YVO4 (mp-19133) | <0 0 1> | <0 1 1> | 256.4 |
YVO4 (mp-19133) | <1 1 0> | <0 0 1> | 336.3 |
Te2Mo (mp-602) | <0 0 1> | <0 0 1> | 252.2 |
KTaO3 (mp-3614) | <1 0 0> | <1 0 0> | 263.5 |
CdS (mp-672) | <1 0 0> | <1 0 1> | 113.5 |
LiF (mp-1138) | <1 1 0> | <1 0 -1> | 234.0 |
GaSe (mp-1943) | <0 0 1> | <1 0 -1> | 312.0 |
YVO4 (mp-19133) | <1 0 1> | <1 1 -1> | 275.4 |
YVO4 (mp-19133) | <1 1 1> | <0 0 1> | 84.1 |
BN (mp-984) | <1 0 0> | <0 0 1> | 252.2 |
BN (mp-984) | <1 0 1> | <0 1 1> | 256.4 |
TePb (mp-19717) | <1 1 0> | <1 1 -1> | 183.6 |
Ag (mp-124) | <1 0 0> | <0 0 1> | 210.2 |
Ag (mp-124) | <1 1 0> | <0 0 1> | 294.2 |
Ag (mp-124) | <1 1 1> | <0 0 1> | 336.3 |
LiNbO3 (mp-3731) | <0 0 1> | <1 0 -1> | 312.0 |
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 |
---|---|---|---|
Li2Cr2O7 (mp-772666) | 0.6380 | 0.079 | 3 |
Li4P2O7 (mp-554577) | 0.6486 | 0.000 | 3 |
BHO2 (mp-721851) | 0.5996 | 0.006 | 3 |
Ag4GeO4 (mp-560342) | 0.6403 | 0.012 | 3 |
Li4P2O7 (mp-28450) | 0.6481 | 0.000 | 3 |
LiNiPO4 (mp-762006) | 0.2494 | 0.211 | 4 |
LiSiBiO4 (mp-766196) | 0.4472 | 0.060 | 4 |
LiSnPO4 (mp-26299) | 0.3491 | 0.017 | 4 |
LiFePO4 (mp-762530) | 0.4759 | 0.099 | 4 |
LiMnPO4 (mp-761560) | 0.4962 | 0.053 | 4 |
LiFe2P2HO8 (mp-763773) | 0.6913 | 0.024 | 5 |
Na8Be3Si9(ClO12)2 (mp-40201) | 0.6831 | 0.037 | 5 |
Na2ZnPHO5 (mp-758238) | 0.7019 | 0.000 | 5 |
Al12Si12Ag16S5O48 (mp-677726) | 0.7047 | 0.106 | 5 |
MnZn2Si(HO3)2 (mp-745154) | 0.7215 | 0.132 | 5 |
Na4BeAlSi4ClO12 (mp-42508) | 0.6954 | 0.046 | 6 |
Na8BeAl4Si7(ClO12)2 (mp-42583) | 0.7120 | 0.053 | 6 |
Na2Li2Al3Si3ClO12 (mp-43030) | 0.7496 | 0.003 | 6 |
Na8BeAl4Si7(BrO12)2 (mp-43188) | 0.7317 | 0.041 | 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-7.1170 eV |
Corrected Energy-217.2371 eV
-217.2371 eV = -199.2770 eV (uncorrected energy) - 11.2366 eV (MP Anion Correction) - 6.7234 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)