Final Magnetic Moment0.000 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 / Atom-1.090 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.024 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. |
Density7.82 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToRhO2 + Rh |
Band Gap0.573 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 MauguinPbca [61] |
Hall-P 2ac 2ab |
Point Groupmmm |
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%)
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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] |
---|---|---|---|
AlN (mp-661) | <0 0 1> | <0 0 1> | 86.5 |
AlN (mp-661) | <1 0 0> | <0 0 1> | 173.0 |
AlN (mp-661) | <1 0 1> | <0 0 1> | 259.5 |
AlN (mp-661) | <1 1 0> | <1 0 0> | 82.5 |
AlN (mp-661) | <1 1 1> | <0 1 0> | 312.9 |
CeO2 (mp-20194) | <1 1 0> | <0 0 1> | 86.5 |
GaAs (mp-2534) | <1 0 0> | <1 0 1> | 262.1 |
BaF2 (mp-1029) | <1 1 0> | <1 0 0> | 165.0 |
GaN (mp-804) | <0 0 1> | <0 0 1> | 144.2 |
GaN (mp-804) | <1 0 0> | <0 1 1> | 83.4 |
GaN (mp-804) | <1 0 1> | <0 0 1> | 259.5 |
GaN (mp-804) | <1 1 0> | <0 0 1> | 28.8 |
GaN (mp-804) | <1 1 1> | <1 0 0> | 247.5 |
LaAlO3 (mp-2920) | <0 0 1> | <0 0 1> | 201.8 |
LaAlO3 (mp-2920) | <1 0 0> | <0 0 1> | 144.2 |
LaAlO3 (mp-2920) | <1 0 1> | <0 0 1> | 317.2 |
LaAlO3 (mp-2920) | <1 1 0> | <0 0 1> | 259.5 |
SiO2 (mp-6930) | <1 0 0> | <1 0 0> | 82.5 |
SiO2 (mp-6930) | <1 1 0> | <0 0 1> | 144.2 |
KCl (mp-23193) | <1 1 0> | <1 0 1> | 174.8 |
DyScO3 (mp-31120) | <0 0 1> | <1 0 0> | 247.5 |
DyScO3 (mp-31120) | <0 1 0> | <0 0 1> | 86.5 |
DyScO3 (mp-31120) | <0 1 1> | <1 0 0> | 165.0 |
DyScO3 (mp-31120) | <1 1 0> | <0 1 1> | 250.1 |
InAs (mp-20305) | <1 1 0> | <0 1 0> | 156.5 |
ZnSe (mp-1190) | <1 0 0> | <1 0 1> | 262.1 |
KTaO3 (mp-3614) | <1 0 0> | <0 0 1> | 259.5 |
CdS (mp-672) | <0 0 1> | <0 0 1> | 230.7 |
CdS (mp-672) | <1 0 0> | <0 1 0> | 312.9 |
CdS (mp-672) | <1 0 1> | <0 0 1> | 259.5 |
LiF (mp-1138) | <1 1 0> | <0 0 1> | 317.2 |
Te2W (mp-22693) | <0 0 1> | <0 0 1> | 288.3 |
YVO4 (mp-19133) | <0 0 1> | <1 0 1> | 262.1 |
YVO4 (mp-19133) | <1 1 0> | <0 0 1> | 201.8 |
TePb (mp-19717) | <1 1 0> | <0 1 0> | 234.7 |
Te2Mo (mp-602) | <0 0 1> | <0 0 1> | 230.7 |
Te2Mo (mp-602) | <1 0 0> | <0 1 0> | 156.5 |
Te2Mo (mp-602) | <1 0 1> | <0 1 1> | 166.8 |
Ag (mp-124) | <1 0 0> | <1 1 0> | 227.4 |
Ag (mp-124) | <1 1 0> | <0 0 1> | 230.7 |
Ag (mp-124) | <1 1 1> | <0 0 1> | 346.0 |
Bi2Te3 (mp-34202) | <0 0 1> | <0 0 1> | 201.8 |
BN (mp-984) | <0 0 1> | <0 0 1> | 259.5 |
BN (mp-984) | <1 0 0> | <0 1 1> | 250.1 |
BN (mp-984) | <1 0 1> | <0 0 1> | 230.7 |
BN (mp-984) | <1 1 0> | <1 1 1> | 234.6 |
LiNbO3 (mp-3731) | <0 0 1> | <0 0 1> | 144.2 |
LiNbO3 (mp-3731) | <1 0 0> | <0 0 1> | 144.2 |
LiNbO3 (mp-3731) | <1 0 1> | <0 0 1> | 317.2 |
Bi2Se3 (mp-541837) | <0 0 1> | <0 0 1> | 230.7 |
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 |
---|---|---|---|
MgFe11O18 (mp-768004) | 0.2304 | 0.084 | 3 |
VCrO3 (mp-770855) | 0.2437 | 0.007 | 3 |
VCrO3 (mp-770778) | 0.2570 | 0.034 | 3 |
YbSmO3 (mp-752596) | 0.2544 | 0.146 | 3 |
NaCdF3 (mp-4360) | 0.2590 | 0.000 | 3 |
Li2Co4OF8 (mp-765686) | 0.3266 | 0.643 | 4 |
Mg2VWO6 (mvc-5881) | 0.2996 | 0.018 | 4 |
Mg2TiWO6 (mvc-5939) | 0.3149 | 0.128 | 4 |
Mg2CrWO6 (mvc-5960) | 0.3283 | 0.047 | 4 |
InNi2SbO6 (mp-1078367) | 0.2944 | 0.000 | 4 |
Fe2O3 (mp-777192) | 0.2312 | 0.732 | 2 |
Cr2O3 (mp-776526) | 0.2329 | 0.047 | 2 |
Al2O3 (mp-776490) | 0.1813 | 0.048 | 2 |
V2O3 (mp-849288) | 0.1349 | 0.022 | 2 |
Rh2S3 (mp-17173) | 0.2282 | 0.000 | 2 |
Li4V2Cr3Sb3O16 (mp-775451) | 0.6701 | 0.096 | 5 |
Li4Fe2TeWO12 (mp-768021) | 0.5349 | 0.083 | 5 |
Li4Cr2TeWO12 (mp-775566) | 0.6585 | 0.081 | 5 |
Li4Mn2TeWO12 (mp-768044) | 0.6074 | 0.054 | 5 |
Li4V2CrTeO12 (mp-775632) | 0.6646 | 0.181 | 5 |
Run TypeGGA |
Energy Cutoff520 eV |
# of K-pointsNone |
U Values-- |
PseudopotentialsVASP PAW: Rh_pv O |
Final Energy/Atom-6.5723 eV |
Corrected Energy-279.7475 eV
-279.7475 eV = -262.8926 eV (uncorrected energy) - 16.8550 eV (MP Anion 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)