Final Magnetic Moment0.000 μBCalculated total magnetic moment for the unit cell within the magnetic ordering provided (see below). Typically accurate to the second digit. |
Magnetic OrderingNM |
Formation Energy / Atom-0.393 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.005 eVThe 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. |
Density5.45 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToCu5Sn2Se7 + SnSe + ZnSe |
Band Gap0.236 eVIn 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. |
Hermann MauguinI4 [82] |
HallI 4 |
Point Group4 |
Crystal Systemtetragonal |
Topological ClassificationTI*
|
SubclassificationNLC†
|
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%)
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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material | dissimilarity | Ehull | # of elements |
---|---|---|---|
Cr3CdTe4 (mp-984629) | 0.0870 | 0.245 | 3 |
Ga4BiAs3 (mp-1079228) | 0.0916 | 0.060 | 3 |
Zn3CdSe4 (mp-1079034) | 0.0875 | 0.013 | 3 |
Zn3CdS4 (mp-981379) | 0.0892 | 0.016 | 3 |
Cu3SbS4 (mp-5702) | 0.0540 | 0.000 | 3 |
MnCu2SnSe4 (mp-22400) | 0.0833 | 0.000 | 4 |
ZnCu2SnSe4 (mvc-16089) | 0.0722 | 0.009 | 4 |
ZnCu2SnS4 (mp-1025500) | 0.0577 | 0.003 | 4 |
ZnCu2SnS4 (mp-1079541) | 0.0314 | 0.000 | 4 |
MnCu2SiTe4 (mp-1025540) | 0.0676 | 0.059 | 4 |
BeP2 (mp-27148) | 0.1490 | 0.000 | 2 |
CuI (mp-673245) | 0.1371 | 0.008 | 2 |
BC7 (mp-1095030) | 0.1849 | 0.275 | 2 |
BC5 (mp-1095514) | 0.0725 | 0.295 | 2 |
SiGe (mp-1096549) | 0.1693 | 0.070 | 2 |
Sn (mp-949028) | 0.1328 | 0.030 | 1 |
C (mp-611448) | 0.1930 | 0.143 | 1 |
Si (mp-971662) | 0.1333 | 0.064 | 1 |
C (mp-569517) | 0.1929 | 0.145 | 1 |
C (mp-569567) | 0.1926 | 0.144 | 1 |
Explore more synthesis descriptions for materials of composition ZnCu2SnSe4.
Text computed by synthesisproject.org.
Run TypeGGA |
Energy Cutoff520 eV |
# of K-pointsNone |
U Values-- |
PseudopotentialsVASP PAW: Zn Cu_pv Sn_d Se |
Final Energy/Atom-3.8241 eV |
Corrected Energy-30.5930 eV
-30.5930 eV = -30.5930 eV (uncorrected energy)
|
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)