Tags: Potassium tin antimonide (8/1/4)

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
-0.451 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.

2.71 g/cm3

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

Decomposes To
Band Gap
0.319 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
Fd3m [227]
F 4d 2 3 1d
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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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.


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
BaDy2PdO5 (mp-9740) 4 0.8363
BaGd2PtO5 (mp-19750) 4 0.8678
BaY2PdO5 (mp-9656) 4 0.8414
Tb2BaPdO5 (mp-9760) 4 0.8490
BaHo2PdO5 (mp-9785) 4 0.8245
Th2Al7 (mp-30334) 2 0.7152
Zr3Al2 (mp-13470) 2 0.7924
Ba3Al5 (mp-261) 2 0.7484
BaZn2 (mp-30435) 2 0.7849
Sr3Li2 (mp-7507) 2 0.7866
Mg8BRh4 (mp-568621) 3 0.4667
Na8SnSb4 (mp-3138) 3 0.4167
Mg8BPt4 (mp-568681) 3 0.4289
K3Sb2Au3 (mp-9273) 3 0.7056
Na8TiAs4 (mp-9071) 3 0.1684
Ba2MgCuBi2F14 (mvc-1817) 5 0.9741
Ba2ZnCuBi2F14 (mvc-1818) 5 0.9717
Na5Y4Si4O16F (mp-557696) 5 0.8346
Ba5Sr2Nd8(CuO5)5 (mp-532816) 5 0.9725
Na5Ca4P4O16F (mp-556228) 5 0.9806
Pu (mp-542606) 1 1.0636
Rb (mp-640416) 1 1.0271
U (mp-93) 1 0.9741
Si (mp-676011) 1 1.1306
U (mp-43) 1 1.0599
CsKNa2Li12(SiO4)4 (mp-17718) 6 1.0774
Li2Ca3Be3Si3(O6F)2 (mp-560036) 6 1.2228
NaCaBeSi2O6F (mp-560721) 6 1.1906
PH9AuC3ClO3 (mp-555921) 6 1.2327
H3CSN(ClO)2 (mp-558736) 6 1.2428
K2Mo2H12C4N(OF3)3 (mp-744190) 7 1.2922
SiPH18C6INCl (mp-738707) 7 1.4199
Cu3As4H18C8I3(NO2)2 (mp-542554) 7 1.3546
Cu3As4H18C8Br3(NO2)2 (mp-542553) 7 1.4351
CsCu3As8H24C8(IO2)4 (mp-605196) 7 1.3449
NaCa3UH16C3SO25F (mp-707264) 8 1.6769
NaAl6Fe3Si6B3H3O30F (mp-863289) 8 1.8323
FeP2H24C8S4NClO4 (mp-744839) 8 1.3908
CoP2H24C8S4NClO4 (mp-746679) 8 1.3756
GaCoPH18C9NCl2O3 (mp-605176) 8 1.5470
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 Sn_d Sb
Final Energy/Atom
-2.7048 eV
Corrected Energy
-70.3244 eV
-70.3244 eV = -70.3244 eV (uncorrected energy)

Detailed input parameters and outputs for all calculations

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  • 44679

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)