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-2.579 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.065 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. |
Density3.19 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToLiMnPO4 |
Band Gap3.131 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%)
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substrate material | substrate orientation | film orientation | MCIA† [Å2] |
---|---|---|---|
LaAlO3 (mp-2920) | <0 0 1> | <0 0 1> | 286.3 |
AlN (mp-661) | <1 0 0> | <0 0 1> | 143.1 |
AlN (mp-661) | <1 1 1> | <0 0 1> | 250.5 |
CeO2 (mp-20194) | <1 1 0> | <0 0 1> | 286.3 |
GaN (mp-804) | <1 0 1> | <0 0 1> | 286.3 |
SiO2 (mp-6930) | <1 0 1> | <1 0 1> | 286.0 |
KCl (mp-23193) | <1 0 0> | <1 1 0> | 161.5 |
DyScO3 (mp-31120) | <0 0 1> | <0 0 1> | 286.3 |
AlN (mp-661) | <1 1 0> | <0 0 1> | 357.9 |
InAs (mp-20305) | <1 1 0> | <1 1 0> | 161.5 |
KTaO3 (mp-3614) | <1 0 0> | <1 1 0> | 161.5 |
GaN (mp-804) | <1 0 0> | <0 0 1> | 357.9 |
KTaO3 (mp-3614) | <1 1 1> | <0 0 1> | 357.9 |
CdS (mp-672) | <0 0 1> | <0 0 1> | 250.5 |
CdS (mp-672) | <1 1 0> | <0 0 1> | 250.5 |
CdS (mp-672) | <1 1 1> | <0 0 1> | 107.4 |
LiF (mp-1138) | <1 0 0> | <0 0 1> | 214.7 |
LiF (mp-1138) | <1 1 1> | <0 0 1> | 322.1 |
YVO4 (mp-19133) | <0 0 1> | <0 0 1> | 107.4 |
YVO4 (mp-19133) | <1 0 1> | <0 0 1> | 71.6 |
CdS (mp-672) | <1 0 1> | <0 0 1> | 357.9 |
YVO4 (mp-19133) | <1 0 0> | <0 1 1> | 140.2 |
TePb (mp-19717) | <1 0 0> | <0 0 1> | 214.7 |
Ag (mp-124) | <1 1 1> | <0 0 1> | 322.1 |
GaSe (mp-1943) | <0 0 1> | <0 0 1> | 250.5 |
BN (mp-984) | <1 0 0> | <0 0 1> | 286.3 |
LiNbO3 (mp-3731) | <1 1 0> | <1 0 0> | 263.4 |
BN (mp-984) | <1 0 1> | <0 0 1> | 143.1 |
Bi2Se3 (mp-541837) | <0 0 1> | <0 0 1> | 250.5 |
MoS2 (mp-1434) | <0 0 1> | <0 0 1> | 286.3 |
Al (mp-134) | <1 1 1> | <0 0 1> | 357.9 |
LiGaO2 (mp-5854) | <0 1 0> | <0 0 1> | 286.3 |
LiGaO2 (mp-5854) | <1 0 1> | <0 0 1> | 214.7 |
Al (mp-134) | <1 0 0> | <0 0 1> | 214.7 |
LiGaO2 (mp-5854) | <0 0 1> | <0 0 1> | 357.9 |
LiGaO2 (mp-5854) | <1 1 0> | <0 0 1> | 143.1 |
CdTe (mp-406) | <1 0 0> | <0 0 1> | 214.7 |
CdTe (mp-406) | <1 1 0> | <1 0 1> | 190.7 |
SiC (mp-7631) | <1 1 1> | <0 0 1> | 250.5 |
TiO2 (mp-2657) | <1 0 0> | <0 0 1> | 178.9 |
TiO2 (mp-2657) | <1 1 1> | <0 0 1> | 322.1 |
MgO (mp-1265) | <1 1 0> | <1 0 1> | 286.0 |
TiO2 (mp-2657) | <1 1 0> | <0 0 1> | 250.5 |
Mg (mp-153) | <0 0 1> | <0 0 1> | 286.3 |
C (mp-66) | <1 0 0> | <0 0 1> | 214.7 |
C (mp-66) | <1 1 0> | <1 1 0> | 161.5 |
GdScO3 (mp-5690) | <0 0 1> | <0 0 1> | 286.3 |
GdScO3 (mp-5690) | <1 0 1> | <0 0 1> | 286.3 |
Mg (mp-153) | <1 0 0> | <0 0 1> | 322.1 |
Mg (mp-153) | <1 0 1> | <0 0 1> | 286.3 |
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 |
---|---|---|---|
Na2Ti2O5 (mp-779477) | 0.4926 | 0.026 | 3 |
Na2Ti2O5 (mp-779729) | 0.5621 | 0.035 | 3 |
Mn2PO5 (mp-770541) | 0.5261 | 0.059 | 3 |
Li4CO4 (mp-645317) | 0.5510 | 0.150 | 3 |
Na2V2O5 (mp-764595) | 0.4582 | 0.093 | 3 |
LiMnPO4 (mp-761562) | 0.3603 | 0.078 | 4 |
LiNiPO4 (mp-766636) | 0.3929 | 0.098 | 4 |
LiVPO4 (mp-761334) | 0.3979 | 0.065 | 4 |
LiCoPO4 (mp-761753) | 0.3623 | 0.087 | 4 |
LiCrPO4 (mp-31728) | 0.3844 | 0.028 | 4 |
Sr2AlGaW2O7 (mvc-16391) | 0.6660 | 0.510 | 5 |
Sr2AlCr2GaO7 (mvc-312) | 0.6174 | 0.186 | 5 |
Sr2AlGaFe2O7 (mvc-13325) | 0.6945 | 0.108 | 5 |
Na3Li2Al(SiO4)2 (mp-1020163) | 0.7018 | 0.000 | 5 |
Li2PWO4F (mp-25728) | 0.4793 | 0.292 | 5 |
Na2LiCaVP2O9 (mp-763838) | 0.6366 | 0.114 | 6 |
Na2SrLiVP2O9 (mp-763837) | 0.7477 | 0.103 | 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-7.1200 eV |
Corrected Energy-434.6389 eV
-434.6389 eV = -398.7189 eV (uncorrected energy) - 22.4733 eV (MP Anion Correction) - 13.4468 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)