Tags: Sodium germanide stannide (12/8/1)

Material Details

Final Magnetic Moment
0.009 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
-0.159 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.

2.90 g/cm3

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

Decomposes To
Band Gap
0.016 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
P41212 [92]
P 4abw 2nw
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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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
ErAl9(Fe2Si3)2 (mp-569739) 4 0.8716
Tm4In(NiGe2)2 (mp-13511) 4 0.6896
Dy4In(NiGe2)2 (mp-20748) 4 0.6482
Er4In(NiGe2)2 (mp-13508) 4 0.6678
Ho4In(NiGe2)2 (mp-13510) 4 0.6554
HfZn16 (mp-1016106) 2 0.6853
Ni19Ge12 (mp-30082) 2 0.6334
LaCu4 (mp-30589) 2 0.6602
ZrZn16 (mp-1016109) 2 0.6838
NbZn16 (mp-640041) 2 0.6897
Sr14Al8Ge3 (mp-571416) 3 0.6142
Ni4(Bi4I)3 (mp-541751) 3 0.5839
Eu2Sn5Au2 (mp-31293) 3 0.6593
GdAs2Pd3 (mp-662714) 3 0.6363
Ho10In20Ni9 (mp-30729) 3 0.6433
Ba2CaCuBi2F14 (mvc-1889) 5 1.2434
Ba2CaCuSb2F14 (mvc-1743) 5 1.1644
Cs2LaTa6(Br5O)3 (mp-572512) 5 1.2598
UTa2S6Cl6O (mp-866812) 5 1.2056
Cs2CeAsS3Cl2 (mp-572902) 5 1.1866
Pu (mp-542606) 1 0.8085
Rb (mp-640416) 1 1.0431
U (mp-93) 1 1.0205
Co (mp-669382) 1 0.8340
U (mp-43) 1 1.0257
Na2Ca9NdY5HoF41 (mp-720432) 6 1.2810
RbC2S2N(OF)4 (mp-559029) 6 1.6042
CsC2S2N(O2F3)2 (mp-573066) 6 1.5187
NaH12C4S2BrO2 (mp-555975) 6 1.3849
H3CSN(ClO)2 (mp-558736) 6 1.5729
SbTe7SXeCl(OF4)9 (mp-581488) 7 1.8334
BaH2C4S4N2(O3F4)3 (mp-554761) 7 1.7055
BaH2CSNClO (mp-643643) 7 1.8716
K2Mo2H12C4N(OF3)3 (mp-744190) 7 1.6806
PH9C3S2NClO4 (mp-559704) 7 1.8720
NaCa3UH16C3SO25F (mp-707264) 8 2.3953
NaAl6Fe3Si6B3H3O30F (mp-863289) 8 2.4931
FeP2H24C8S4NClO4 (mp-744839) 8 1.9930
CoP2H24C8S4NClO4 (mp-746679) 8 1.9782
GaCoPH18C9NCl2O3 (mp-605176) 8 1.8606
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 Sn_d Ge_d
Final Energy/Atom
-2.8609 eV
Corrected Energy
-480.6277 eV
-480.6277 eV = -480.6277 eV (uncorrected energy)

Detailed input parameters and outputs for all calculations

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  • 417883

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)