Tags: Erbium rhodium indide (4/1/1)

Material Details

Final Magnetic Moment
-0.000 μB

Calculated total magnetic moment for the unit cell within the magnetic ordering provided (see below). Typically accurate to the second digit.

Magnetic Ordering
Formation Energy / Atom
-0.573 eV

Calculated formation energy from the elements normalized to per atom in the unit cell.

Energy Above Hull / Atom
0.000 eV

The 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.

9.49 g/cm3

The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%)

Decomposes To
Band Gap
0.000 eV

In 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.

Space Group

Hermann Mauguin
F43m [216]
F 4 2 3
Point Group
Crystal System

Band Structure

Density of States
Warning! Semi-local DFT tends to severely underestimate bandgaps. Please see the wiki for more info.

sign indicates spin ↑ ↓

  • Cu
  • Ag
  • Mo
  • Fe

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%)

X-Ray Absorption Spectra


Select an element to display a spectrum averaged over all sites of that element in the structure.

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0 eV
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FWHM: 0 eV

Download spectra for every symmetrically equivalent absorption site in the structure.

Download FEFF Input parameters.

Warning: These results are intended to be semi-quantitative in that corrections, such as edge shifts and Debye-Waller damping, have not been included.


Reference for minimal coincident interface area (MCIA) and elastic energy:
substrate orientation:
No elastic tensor calculated for this material, so elastic energies not avaialable. Sorting by MCIA instead.
substrate material substrate orientation film orientation MCIA [Å2]
PbS (mp-21276) <1 0 0> <1 0 0> 183.3
Up to 50 entries displayed.
minimal coincident interface area.


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.

Once you have registered you can also "vote" for full calculation of this material's elastic properties.

Similar Structures

Explanation of similarity distance measure: Documentation.
material # of elements distance
Ba4LiTa3O12 (mp-16792) 4 0.5727
Ba5Li2(WO5)3 (mp-566745) 4 0.6069
Ba4LiNb3O12 (mp-18274) 4 0.5900
Ba2BiRuO6 (mp-561147) 4 0.6205
Ba4LiNb3O12 (mp-774715) 4 0.5848
In5Cl9 (mp-28112) 2 0.6624
Mg2Pd (mp-18316) 2 0.6808
Th7Rh3 (mp-1107) 2 0.6821
Th7Pt3 (mp-569074) 2 0.6660
SbO2 (mp-22071) 2 0.5790
Dy4InRh (mp-571230) 3 0.0080
Tm4InRh (mp-582278) 3 0.0122
Ho4InRh (mp-570015) 3 0.0178
Ho4CdRh (mp-569478) 3 0.0484
Tb4InRh (mp-582119) 3 0.0241
Sr8CaRe3(CuO6)4 (mvc-14103) 5 0.6861
Ba10Mg3ZrTa6O30 (mp-686330) 5 0.6879
Ba3La3Ti4NbO18 (mp-677222) 5 0.6648
Ba3CaZrWO9 (mp-736122) 5 0.6966
Sr8CaRe3(CuO6)4 (mp-21652) 5 0.6861
Ta (mp-569794) 1 0.7967
Ta (mp-42) 1 0.7880
U (mp-93) 1 0.9186
Cs (mp-949029) 1 0.9580
U (mp-43) 1 0.9566
AgSbTe6S16(OF5)6 (mp-555028) 6 1.0344
Ba3LaZnReWO12 (mp-705508) 6 0.9431
SbH3CSCl6O (mp-561214) 6 1.1169
Na5Ca2Ce3Ti8Nb2O30 (mp-721094) 6 1.0293
AsCS2N2OF5 (mp-554876) 6 1.0181
SbTe7SXeCl(OF4)9 (mp-560359) 7 1.2482
SbTe7SXeCl(OF4)9 (mp-581488) 7 1.2630
NaAgH16C4S4(NO5)2 (mp-605018) 7 1.2591
AsC4S4N4Cl2O2F5 (mp-555067) 7 1.2144
ZnAs2C6S12N12(OF2)6 (mp-556173) 7 1.1413
NaCa3UH16C3SO25F (mp-707264) 8 1.6638
NaAl6Fe3Si6B3H3O30F (mp-863289) 8 1.6317
FeP2H24C8S4NClO4 (mp-744839) 8 1.7161
CoP2H24C8S4NClO4 (mp-746679) 8 1.6410
GaCoPH18C9NCl2O3 (mp-605176) 8 1.5830
Scroll to show top 5 similar elemental, binary, ternary, quaternary, etc. structures.

Calculation Summary

Structure Optimization

Run Type
Energy Cutoff
520 eV
# of K-points
U Values
VASP PAW: Er_3 In_d Rh_pv
Final Energy/Atom
-5.2983 eV
Corrected Energy
-127.1591 eV
-127.1591 eV = -127.1591 eV (uncorrected energy)

Detailed input parameters and outputs for all calculations

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  • 417515

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)