Final Magnetic Moment0.650 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 / Atom0.685 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.834 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. |
Density10.20 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToRhBr3 + Rh |
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 MauguinI4/mmm [139] |
Hall-I 4 2 |
Point Group4/mmm |
Crystal Systemtetragonal |
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) | <0 0 1> | <1 1 0> | 174.3 |
LaAlO3 (mp-2920) | <1 1 1> | <0 0 1> | 253.1 |
AlN (mp-661) | <1 0 1> | <0 0 1> | 202.5 |
AlN (mp-661) | <1 1 0> | <1 0 0> | 215.7 |
CeO2 (mp-20194) | <1 0 0> | <0 0 1> | 151.8 |
CeO2 (mp-20194) | <1 1 0> | <1 0 0> | 339.0 |
GaAs (mp-2534) | <1 0 0> | <0 0 1> | 33.7 |
GaAs (mp-2534) | <1 1 0> | <1 0 1> | 140.5 |
GaAs (mp-2534) | <1 1 1> | <0 0 1> | 168.7 |
AlN (mp-661) | <0 0 1> | <0 0 1> | 219.3 |
AlN (mp-661) | <1 0 0> | <1 0 1> | 210.8 |
AlN (mp-661) | <1 1 1> | <0 0 1> | 286.8 |
BaF2 (mp-1029) | <1 0 0> | <0 0 1> | 151.8 |
BaF2 (mp-1029) | <1 1 0> | <1 0 0> | 339.0 |
SiO2 (mp-6930) | <1 0 0> | <1 0 0> | 215.7 |
SiO2 (mp-6930) | <1 1 0> | <1 0 1> | 140.5 |
SiO2 (mp-6930) | <1 1 1> | <1 0 1> | 105.4 |
DyScO3 (mp-31120) | <0 1 0> | <0 0 1> | 135.0 |
DyScO3 (mp-31120) | <1 0 0> | <1 0 1> | 140.5 |
DyScO3 (mp-31120) | <1 0 1> | <0 0 1> | 168.7 |
DyScO3 (mp-31120) | <1 1 0> | <0 0 1> | 303.7 |
InAs (mp-20305) | <1 1 0> | <1 0 1> | 105.4 |
ZnSe (mp-1190) | <1 1 0> | <1 0 1> | 140.5 |
KTaO3 (mp-3614) | <1 0 0> | <0 0 1> | 16.9 |
KTaO3 (mp-3614) | <1 1 0> | <1 0 1> | 70.3 |
KTaO3 (mp-3614) | <1 1 1> | <0 0 1> | 84.4 |
CdS (mp-672) | <0 0 1> | <1 0 0> | 30.8 |
CdS (mp-672) | <1 0 0> | <0 0 1> | 84.4 |
CdS (mp-672) | <1 1 1> | <1 0 0> | 215.7 |
LiF (mp-1138) | <1 0 0> | <0 0 1> | 16.9 |
LiF (mp-1138) | <1 1 1> | <0 0 1> | 320.5 |
Te2W (mp-22693) | <0 1 1> | <1 0 1> | 281.1 |
YVO4 (mp-19133) | <1 1 0> | <1 1 1> | 327.1 |
YVO4 (mp-19133) | <1 1 1> | <1 0 1> | 245.9 |
TePb (mp-19717) | <1 0 0> | <0 0 1> | 84.4 |
TePb (mp-19717) | <1 1 0> | <1 1 1> | 186.9 |
Te2Mo (mp-602) | <1 0 0> | <1 1 0> | 261.5 |
Ag (mp-124) | <1 1 0> | <0 0 1> | 118.1 |
GaSe (mp-1943) | <0 0 1> | <0 0 1> | 269.9 |
GaSe (mp-1943) | <1 0 0> | <1 1 0> | 130.7 |
BN (mp-984) | <1 1 1> | <1 0 0> | 246.5 |
LiNbO3 (mp-3731) | <0 0 1> | <1 0 1> | 316.2 |
LiNbO3 (mp-3731) | <1 1 0> | <0 0 1> | 253.1 |
MoS2 (mp-1434) | <0 0 1> | <1 0 0> | 215.7 |
Al (mp-134) | <1 0 0> | <0 0 1> | 16.9 |
Al (mp-134) | <1 1 0> | <1 0 1> | 70.3 |
Al (mp-134) | <1 1 1> | <0 0 1> | 84.4 |
GaN (mp-804) | <0 0 1> | <1 0 0> | 215.7 |
GaN (mp-804) | <1 0 0> | <1 0 0> | 123.3 |
GaN (mp-804) | <1 0 1> | <1 1 0> | 174.3 |
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 |
---|---|---|---|
VSnRh2 (mp-669918) | 0.1188 | 0.011 | 3 |
FeCuPt2 (mp-3702) | 0.0766 | 0.017 | 3 |
MnGaNi2 (mp-1066921) | 0.1453 | 0.028 | 3 |
LiTlPd2 (mp-12716) | 0.0921 | 0.000 | 3 |
TiCdHg2 (mp-11300) | 0.1367 | 0.089 | 3 |
Cr8Ni50Mo15W2 (mp-767372) | 0.4678 | 0.028 | 4 |
CrFeCoNi (mp-1012640) | 0.4474 | 0.065 | 4 |
CrFeCoNi (mp-1096923) | 0.4866 | 0.193 | 4 |
Rb3Tc (mp-974774) | 0.0152 | 1.241 | 2 |
Mg3Os (mp-978290) | 0.0243 | 0.162 | 2 |
TcAg3 (mp-981749) | 0.0181 | 0.594 | 2 |
CdPt (mp-1194) | 0.0299 | 0.000 | 2 |
InPd3 (mp-1007664) | 0.0182 | 0.005 | 2 |
K (mp-972981) | 0.3092 | 0.008 | 1 |
Hg (mp-569360) | 0.3472 | 0.001 | 1 |
Eu (mp-1057315) | 0.3540 | 0.000 | 1 |
Pr (mp-1059528) | 0.3947 | 0.010 | 1 |
Pr (mp-1009594) | 0.3949 | 0.032 | 1 |
Run TypeGGA |
Energy Cutoff520 eV |
# of K-pointsNone |
U Values-- |
PseudopotentialsVASP PAW: Rh_pv Br |
Final Energy/Atom-5.2471 eV |
Corrected Energy-20.9883 eV
-20.9883 eV = -20.9883 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)