Final Magnetic Moment14.057 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-0.270 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.020 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. |
Density7.14 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToIn + EuIn2 |
Band Gap0.018 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 MauguinC2/m [12] |
Hall-C 2y |
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] |
|---|---|---|---|
| AlN (mp-661) | <1 1 0> | <0 1 0> | 110.4 |
| AlN (mp-661) | <1 1 1> | <1 0 -1> | 249.3 |
| BaF2 (mp-1029) | <1 1 0> | <1 0 1> | 288.1 |
| GaN (mp-804) | <1 0 0> | <1 0 -1> | 186.9 |
| SiO2 (mp-6930) | <0 0 1> | <1 0 0> | 258.4 |
| SiO2 (mp-6930) | <1 0 1> | <1 0 -1> | 249.3 |
| DyScO3 (mp-31120) | <1 1 1> | <0 1 0> | 220.8 |
| InAs (mp-20305) | <1 1 0> | <1 0 -1> | 311.6 |
| KTaO3 (mp-3614) | <1 0 0> | <1 0 -1> | 249.3 |
| KTaO3 (mp-3614) | <1 1 0> | <1 0 0> | 206.7 |
| AlN (mp-661) | <1 0 0> | <1 0 0> | 155.0 |
| GaN (mp-804) | <1 0 1> | <1 0 -1> | 186.9 |
| GaN (mp-804) | <1 1 0> | <1 0 0> | 206.7 |
| SiO2 (mp-6930) | <1 0 0> | <0 1 0> | 110.4 |
| SiO2 (mp-6930) | <1 1 1> | <1 0 -1> | 311.6 |
| KCl (mp-23193) | <1 1 0> | <1 0 1> | 288.1 |
| KCl (mp-23193) | <1 1 1> | <1 0 1> | 288.1 |
| DyScO3 (mp-31120) | <1 1 0> | <1 0 0> | 258.4 |
| CdS (mp-672) | <0 0 1> | <1 0 0> | 258.4 |
| LiF (mp-1138) | <1 0 0> | <1 0 -1> | 249.3 |
| LiF (mp-1138) | <1 1 0> | <1 0 0> | 206.7 |
| LiF (mp-1138) | <1 1 1> | <1 0 0> | 206.7 |
| Te2W (mp-22693) | <0 0 1> | <1 0 0> | 258.4 |
| YVO4 (mp-19133) | <1 1 0> | <1 0 1> | 192.1 |
| YVO4 (mp-19133) | <1 1 1> | <1 0 -1> | 249.3 |
| Te2Mo (mp-602) | <0 0 1> | <1 0 -1> | 311.6 |
| Te2Mo (mp-602) | <1 1 0> | <1 0 -1> | 186.9 |
| Ag (mp-124) | <1 1 0> | <0 1 0> | 220.8 |
| Ag (mp-124) | <1 1 1> | <1 0 0> | 206.7 |
| GaSe (mp-1943) | <1 0 1> | <1 0 0> | 206.7 |
| BN (mp-984) | <0 0 1> | <1 0 0> | 258.4 |
| BN (mp-984) | <1 0 0> | <1 0 0> | 155.0 |
| BN (mp-984) | <1 0 1> | <1 0 0> | 258.4 |
| LiNbO3 (mp-3731) | <0 0 1> | <1 0 1> | 96.0 |
| LiNbO3 (mp-3731) | <1 0 0> | <1 0 1> | 288.1 |
| LiNbO3 (mp-3731) | <1 0 1> | <1 0 0> | 155.0 |
| BaTiO3 (mp-5986) | <1 0 0> | <1 0 -1> | 249.3 |
| BaTiO3 (mp-5986) | <1 1 1> | <1 0 0> | 206.7 |
| Bi2Se3 (mp-541837) | <0 0 1> | <1 0 0> | 258.4 |
| Al (mp-134) | <1 0 0> | <1 0 -1> | 249.3 |
| Al (mp-134) | <1 1 0> | <1 0 0> | 206.7 |
| LiGaO2 (mp-5854) | <0 0 1> | <0 1 0> | 110.4 |
| LiGaO2 (mp-5854) | <0 1 0> | <1 0 0> | 258.4 |
| LiGaO2 (mp-5854) | <0 1 1> | <1 0 0> | 258.4 |
| Ga2O3 (mp-886) | <1 0 -1> | <1 0 -1> | 186.9 |
| Au (mp-81) | <1 1 0> | <0 1 0> | 220.8 |
| Au (mp-81) | <1 1 1> | <1 0 0> | 206.7 |
| SiC (mp-7631) | <1 0 0> | <1 0 -1> | 186.9 |
| CdSe (mp-2691) | <1 1 0> | <1 0 -1> | 311.6 |
| C (mp-48) | <1 0 0> | <1 0 0> | 155.0 |
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| material | dissimilarity | Ehull | # of elements |
|---|---|---|---|
| K2Li3NiO4 (mp-774432) | 0.6913 | 0.000 | 4 |
| K2Li3CoO4 (mp-761715) | 0.6830 | 0.000 | 4 |
| K2Li3CrO4 (mp-767808) | 0.7318 | 0.043 | 4 |
| Sm3NbSe3O4 (mp-555559) | 0.7312 | 0.023 | 4 |
| Ho2Al (mp-16502) | 0.7201 | 0.000 | 2 |
| Sn3Pd (mp-1371) | 0.6733 | 0.004 | 2 |
| SrIn4 (mp-567207) | 0.1448 | 0.000 | 2 |
| Sr2P6Rh7 (mp-669387) | 0.5363 | 0.000 | 3 |
| Ba2Cu3P4 (mp-28661) | 0.6061 | 0.000 | 3 |
| La(BRu)4 (mp-7347) | 0.6080 | 0.000 | 3 |
| Ba2Tl7Au (mp-31071) | 0.5923 | 0.001 | 3 |
| VOF3 (mp-764287) | 0.6337 | 0.020 | 3 |
Run TypeGGA |
Energy Cutoff520 eV |
# of K-points32 |
U Values-- |
PseudopotentialsVASP PAW: Eu In_d |
Final Energy/Atom-4.5096 eV |
Corrected Energy-45.0956 eV
-45.0956 eV = -45.0956 eV (uncorrected energy)
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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)