Tags: Decapotassium nanoantimonidopentaindate

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
-0.398 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.

3.92 g/cm3

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

Decomposes To
Band Gap
0.611 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
P21/c [14]
-P 2ybc
Point Group
Crystal System
We have not yet calculated a detailed bandstructure for this material
  • 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


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0 eV
3 eV
FWHM: 0 eV

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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.


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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Similar Structures

Explanation of similarity distance measure: Documentation.
material # of elements distance
Gd3NbS3O4 (mp-510057) 4 0.5649
Ba2V(CuS2)3 (mp-560493) 4 0.6396
KSr2Cd2Sb3 (mp-866639) 4 0.5249
Sm3NbS3O4 (mp-16135) 4 0.5756
SbPb2S2I3 (mp-578882) 4 0.6380
NaSn2 (mp-583168) 2 0.5907
Y8Co5 (mp-573425) 2 0.6107
NaGe (mp-29657) 2 0.6352
Cs4Pb9 (mp-574070) 2 0.6280
NaSi (mp-2402) 2 0.6237
K5SnBi3 (mp-29387) 3 0.5141
K3Al2As3 (mp-28347) 3 0.4940
Tl3AgTe2 (mp-650442) 3 0.5137
Cs7(In2Bi3)2 (mp-581533) 3 0.4861
VFe11C4 (mp-995285) 3 0.4956
RbCS(OF)3 (mp-6858) 5 0.9120
Cs2LaTa6(Br5O)3 (mp-572512) 5 0.8854
UTa2S6Cl6O (mp-866812) 5 0.9043
HgH3CSO3 (mp-738615) 5 0.9408
Cs2CeAsS3Cl2 (mp-572902) 5 0.8338
Pu (mp-542606) 1 1.0312
Mn (mp-35) 1 1.0275
Rb (mp-640416) 1 0.7392
Hg (mp-864900) 1 0.9162
Si (mp-676011) 1 0.7235
CsC2S2N(O2F3)2 (mp-573066) 6 1.0905
NaH12C4S2BrO2 (mp-555975) 6 0.8979
SiH8C2NClO (mp-560249) 6 1.1319
KSn2H36C12(Se2N)3 (mp-708999) 6 1.2010
H3CSN(ClO)2 (mp-558736) 6 1.0602
BaH2C4S4N2(O3F4)3 (mp-554761) 7 1.4728
K2Mo2H12C4N(OF3)3 (mp-744190) 7 1.3114
SiPH18C6INCl (mp-738707) 7 1.4572
PH9C3S2NClO4 (mp-559704) 7 1.4675
PH6C2S2N(ClO2)2 (mp-555563) 7 1.4594
NaCa3UH16C3SO25F (mp-707264) 8 2.0697
NaAl6Fe3Si6B3H3O30F (mp-863289) 8 2.1031
FeP2H24C8S4NClO4 (mp-744839) 8 1.5578
CoP2H24C8S4NClO4 (mp-746679) 8 1.5506
GaCoPH18C9NCl2O3 (mp-605176) 8 1.4770
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: K_sv In_d Sb
Final Energy/Atom
-2.9692 eV
Corrected Energy
-285.0400 eV
-285.0400 eV = -285.0400 eV (uncorrected energy)

Detailed input parameters and outputs for all calculations

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  • 56323

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)