Tags: Cesium sodium silicide (8/16/136) Cesium sodium silicon (8/16/136)

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
-0.044 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.

2.67 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
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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0 eV
3 eV
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
Pb2ClOF (mp-23104) 4 0.8401
Cs2Li3GaO4 (mp-555140) 4 0.8229
SrBiClO2 (mp-547244) 4 0.8214
SrBiBrO2 (mp-552234) 4 0.7574
SrBiIO2 (mp-552547) 4 0.7386
Ba3Si23 (mp-30186) 2 0.3913
Cs4Sn23 (mp-2496) 2 0.4316
Ba4Si23 (mp-640551) 2 0.4145
K4Ge23 (mp-27800) 2 0.4103
K4Si23 (mp-531) 2 0.4075
K4In3Ge20 (mp-640312) 3 0.3273
CsNa2Ge17 (mp-640321) 3 0.0587
Ba4Si20Au3 (mp-17815) 3 0.3638
RbNa2Ge17 (mp-16126) 3 0.0255
RbNa2Si17 (mp-16836) 3 0.0193
SrNd5Fe6(AsO)6 (mp-694989) 5 0.8265
Nd5Fe5As5O4F (mp-698941) 5 0.8968
SrNd7Fe8(AsO)8 (mp-705458) 5 0.8436
NaSr7Cu8(SF)8 (mp-603276) 5 0.9230
Sm6Fe6As6O5F (mp-697821) 5 0.8952
Np (mp-7098) 1 1.2378
Si (mp-971661) 1 1.3453
Si (mp-644693) 1 1.2652
Si (mp-16220) 1 1.3746
Si (mp-676011) 1 1.2206
Na3Al3Si3AgBrO12 (mp-43068) 6 1.1551
Na8BeAl4Si7(ClO12)2 (mp-42583) 6 1.1879
Na8BeAl4Si7(BrO12)2 (mp-43188) 6 1.1869
Na4BeAlSi4ClO12 (mp-23151) 6 1.2533
Li2Ca3Be3Si3(O6F)2 (mp-560036) 6 1.2094
H16AuC6S2N4ClO4 (mp-705526) 7 1.8782
K2Mo2H12C4N(OF3)3 (mp-744190) 7 1.6527
SiPH18C6INCl (mp-738707) 7 1.7947
Cu3As4H18C8I3(NO2)2 (mp-542554) 7 1.9278
MnP2H36C12N6(ClO)2 (mp-743961) 7 1.9265
NaCa3UH16C3SO25F (mp-707264) 8 2.4016
NaAl6Fe3Si6B3H3O30F (mp-863289) 8 2.4776
FeP2H24C8S4NClO4 (mp-744839) 8 1.9431
CoP2H24C8S4NClO4 (mp-746679) 8 1.9193
GaCoPH18C9NCl2O3 (mp-605176) 8 1.9499
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: Na_pv Si Cs_sv
Final Energy/Atom
-4.8297 eV
Corrected Energy
-193.1890 eV
-193.1890 eV = -193.1890 eV (uncorrected energy)

Detailed input parameters and outputs for all calculations

Show JSON History Show BibTex Citation Download BibTex Citation
  • 240032
  • 240033
  • 240034
  • 240035
  • 240036
  • 240030

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)