Final Magnetic Moment0.029 μBCalculated total magnetic moment for the unit cell within the magnetic ordering provided (see below). Typically accurate to the second digit. |
Magnetic OrderingNM |
Formation Energy / Atom0.196 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.203 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. |
Density1.68 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToRbMg149 + Rb |
Band Gap0.000 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 MauguinAmm2 [38] |
HallA 2 2 |
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%)
substrate material | substrate orientation | film orientation | MCIA† [Å2] |
---|---|---|---|
YVO4 (mp-19133) | <1 1 0> | <1 0 1> | 131.7 |
YVO4 (mp-19133) | <1 1 1> | <0 0 1> | 163.4 |
TePb (mp-19717) | <1 1 0> | <0 1 1> | 254.0 |
Te2Mo (mp-602) | <1 0 0> | <0 1 1> | 169.3 |
Ag (mp-124) | <1 1 0> | <0 1 0> | 194.4 |
Ag (mp-124) | <1 1 1> | <1 0 0> | 119.9 |
BN (mp-984) | <0 0 1> | <1 0 1> | 131.7 |
TeO2 (mp-2125) | <0 1 0> | <1 1 0> | 136.3 |
TeO2 (mp-2125) | <1 1 0> | <0 1 0> | 194.4 |
SiC (mp-7631) | <0 0 1> | <0 0 1> | 272.3 |
SiC (mp-7631) | <1 1 0> | <0 1 1> | 84.7 |
SiC (mp-7631) | <1 1 1> | <0 0 1> | 163.4 |
TiO2 (mp-2657) | <1 0 0> | <0 1 0> | 194.4 |
TiO2 (mp-2657) | <1 0 1> | <0 1 0> | 129.6 |
TiO2 (mp-2657) | <1 1 0> | <0 1 0> | 194.4 |
TiO2 (mp-2657) | <1 1 1> | <0 1 0> | 259.2 |
C (mp-66) | <1 0 0> | <0 0 1> | 217.9 |
C (mp-66) | <1 1 0> | <0 1 0> | 194.4 |
GdScO3 (mp-5690) | <0 0 1> | <0 0 1> | 217.9 |
GdScO3 (mp-5690) | <0 1 0> | <0 1 1> | 84.7 |
GdScO3 (mp-5690) | <0 1 1> | <0 0 1> | 54.5 |
GdScO3 (mp-5690) | <1 1 0> | <0 1 1> | 254.0 |
GdScO3 (mp-5690) | <1 1 1> | <0 0 1> | 217.9 |
LaAlO3 (mp-2920) | <0 0 1> | <0 1 1> | 254.0 |
LaAlO3 (mp-2920) | <1 0 0> | <0 0 1> | 217.9 |
LaAlO3 (mp-2920) | <1 1 0> | <0 1 1> | 254.0 |
AlN (mp-661) | <0 0 1> | <0 1 1> | 84.7 |
AlN (mp-661) | <1 1 0> | <0 0 1> | 54.5 |
AlN (mp-661) | <1 1 1> | <0 1 0> | 324.0 |
Mg (mp-153) | <0 0 1> | <0 1 0> | 194.4 |
Mg (mp-153) | <1 1 0> | <0 1 1> | 84.7 |
Mg (mp-153) | <1 1 1> | <0 0 1> | 326.8 |
CeO2 (mp-20194) | <1 0 0> | <0 0 1> | 272.3 |
CeO2 (mp-20194) | <1 1 0> | <0 1 1> | 84.7 |
BaF2 (mp-1029) | <1 1 0> | <0 1 1> | 169.3 |
GaN (mp-804) | <0 0 1> | <0 1 0> | 324.0 |
GaN (mp-804) | <1 0 1> | <0 1 0> | 194.4 |
GaN (mp-804) | <1 1 0> | <0 1 0> | 259.2 |
GaN (mp-804) | <1 1 1> | <0 0 1> | 217.9 |
SiO2 (mp-6930) | <1 0 0> | <0 0 1> | 54.5 |
SiO2 (mp-6930) | <1 1 0> | <0 1 0> | 194.4 |
KCl (mp-23193) | <1 1 0> | <0 1 1> | 169.3 |
GaP (mp-2490) | <1 0 0> | <0 0 1> | 272.3 |
GaP (mp-2490) | <1 1 0> | <0 1 1> | 84.7 |
TbScO3 (mp-31119) | <0 0 1> | <0 0 1> | 217.9 |
TbScO3 (mp-31119) | <0 1 0> | <0 1 1> | 84.7 |
TbScO3 (mp-31119) | <0 1 1> | <0 0 1> | 54.5 |
TbScO3 (mp-31119) | <1 1 0> | <0 1 1> | 254.0 |
TbScO3 (mp-31119) | <1 1 1> | <0 0 1> | 217.9 |
DyScO3 (mp-31120) | <0 0 1> | <0 0 1> | 217.9 |
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 |
---|---|---|---|
CeGeIr (mp-20022) | 0.6726 | 0.000 | 3 |
CsNaGe2 (mp-29566) | 0.6790 | 0.000 | 3 |
USiIr (mp-19806) | 0.6742 | 0.000 | 3 |
LiEuBi (mp-1095380) | 0.6605 | 0.000 | 3 |
CeGeAu (mp-20562) | 0.5849 | 0.000 | 3 |
Cs4Pb9 (mp-574070) | 0.6889 | 0.000 | 2 |
K4Sn9 (mp-570900) | 0.6971 | 0.000 | 2 |
Mg2Si3 (mp-1073070) | 0.7110 | 0.151 | 2 |
Mg2Si3 (mp-1073181) | 0.7123 | 0.240 | 2 |
Mg5Si6 (mp-1075504) | 0.6898 | 0.205 | 2 |
Run TypeGGA |
Energy Cutoff520 eV |
# of K-pointsNone |
U Values-- |
PseudopotentialsVASP PAW: Rb_sv Mg_pv |
Final Energy/Atom-1.0931 eV |
Corrected Energy-6.5586 eV
-6.5586 eV = -6.5586 eV (uncorrected energy)
|
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)