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-2.555 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.090 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. |
Density2.81 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToLiMnPO4 |
Band Gap3.025 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 MauguinPna21 [33] |
HallP 2c 2n |
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.
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substrate material | substrate orientation | film orientation | MCIA† [Å2] |
---|---|---|---|
LaAlO3 (mp-2920) | <1 0 0> | <0 1 0> | 136.1 |
LaAlO3 (mp-2920) | <0 0 1> | <0 0 1> | 296.0 |
LaAlO3 (mp-2920) | <1 0 1> | <0 0 1> | 296.0 |
LaAlO3 (mp-2920) | <1 1 0> | <1 1 0> | 248.3 |
AlN (mp-661) | <1 1 0> | <0 1 0> | 136.1 |
AlN (mp-661) | <0 0 1> | <0 1 1> | 186.0 |
AlN (mp-661) | <1 0 0> | <0 0 1> | 169.1 |
AlN (mp-661) | <1 0 1> | <0 0 1> | 338.2 |
AlN (mp-661) | <1 1 1> | <0 1 0> | 226.8 |
GaAs (mp-2534) | <1 0 0> | <0 0 1> | 126.8 |
GaAs (mp-2534) | <1 1 0> | <1 0 0> | 138.4 |
GaN (mp-804) | <0 0 1> | <0 0 1> | 296.0 |
GaN (mp-804) | <1 0 0> | <0 0 1> | 84.6 |
GaN (mp-804) | <1 0 1> | <0 1 0> | 136.1 |
GaN (mp-804) | <1 1 0> | <0 0 1> | 211.4 |
SiO2 (mp-6930) | <1 0 0> | <1 0 0> | 138.4 |
SiO2 (mp-6930) | <1 0 1> | <0 1 1> | 248.0 |
DyScO3 (mp-31120) | <1 0 0> | <1 0 0> | 138.4 |
DyScO3 (mp-31120) | <1 0 1> | <1 1 0> | 165.5 |
DyScO3 (mp-31120) | <1 1 0> | <0 0 1> | 126.8 |
SiO2 (mp-6930) | <1 1 0> | <1 0 0> | 138.4 |
SiO2 (mp-6930) | <1 1 1> | <1 0 0> | 207.6 |
DyScO3 (mp-31120) | <0 0 1> | <1 0 0> | 276.9 |
DyScO3 (mp-31120) | <0 1 1> | <1 0 1> | 162.2 |
InAs (mp-20305) | <1 0 0> | <0 1 0> | 226.8 |
InAs (mp-20305) | <1 1 0> | <1 0 0> | 207.6 |
ZnSe (mp-1190) | <1 1 0> | <1 0 0> | 138.4 |
KTaO3 (mp-3614) | <1 0 0> | <0 0 1> | 126.8 |
CdS (mp-672) | <1 0 0> | <0 1 0> | 226.8 |
CdS (mp-672) | <1 1 1> | <0 0 1> | 253.7 |
ZnSe (mp-1190) | <1 0 0> | <0 0 1> | 126.8 |
CdS (mp-672) | <0 0 1> | <1 1 0> | 248.3 |
CdS (mp-672) | <1 0 1> | <0 1 0> | 136.1 |
LiF (mp-1138) | <1 0 0> | <0 0 1> | 296.0 |
Te2W (mp-22693) | <0 0 1> | <1 1 0> | 248.3 |
Te2W (mp-22693) | <0 1 0> | <0 1 0> | 272.2 |
Te2W (mp-22693) | <0 1 1> | <0 1 0> | 226.8 |
YVO4 (mp-19133) | <0 0 1> | <0 0 1> | 253.7 |
YVO4 (mp-19133) | <1 0 0> | <0 1 1> | 186.0 |
YVO4 (mp-19133) | <1 1 0> | <0 0 1> | 338.2 |
Te2Mo (mp-602) | <0 0 1> | <0 0 1> | 253.7 |
Te2Mo (mp-602) | <1 0 1> | <0 0 1> | 169.1 |
Ag (mp-124) | <1 1 0> | <0 1 0> | 272.2 |
Ag (mp-124) | <1 1 1> | <1 0 1> | 243.3 |
Bi2Te3 (mp-34202) | <0 0 1> | <1 1 1> | 185.9 |
GaSe (mp-1943) | <0 0 1> | <0 1 0> | 317.5 |
BN (mp-984) | <0 0 1> | <0 0 1> | 296.0 |
BN (mp-984) | <1 0 0> | <0 0 1> | 253.7 |
BN (mp-984) | <1 0 1> | <0 0 1> | 296.0 |
BN (mp-984) | <1 1 0> | <0 1 0> | 136.1 |
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 |
---|---|---|---|
Mg3(AsO4)2 (mp-770734) | 0.5845 | 0.043 | 3 |
Na2Ti2O5 (mp-779729) | 0.6001 | 0.035 | 3 |
Na2Ti2O5 (mp-762058) | 0.6156 | 0.031 | 3 |
Fe3(PO4)2 (mp-636647) | 0.5114 | 0.018 | 3 |
Ni3(PO4)2 (mp-771911) | 0.5261 | 0.038 | 3 |
LiMnPO4 (mp-861467) | 0.2687 | 0.065 | 4 |
LiFePO4 (mp-766763) | 0.3547 | 0.060 | 4 |
LiNiPO4 (mp-766651) | 0.3751 | 0.083 | 4 |
LiNiPO4 (mp-772673) | 0.3817 | 0.058 | 4 |
LiFePO4 (mp-761462) | 0.3444 | 0.096 | 4 |
Bi25O38 (mp-766354) | 0.7487 | 0.042 | 2 |
Bi19O30 (mp-773884) | 0.7186 | 0.050 | 2 |
RbLiVPO5 (mp-763827) | 0.7302 | 0.128 | 5 |
NaLiZnP2O7 (mp-676483) | 0.4882 | 0.002 | 5 |
KMg3AlSi3(O5F)2 (mp-684841) | 0.6401 | 0.215 | 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-7.0956 eV |
Corrected Energy-216.6360 eV
-216.6360 eV = -198.6760 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)