Tags: mue-Fluoro-bis(hexachloropentafluorodiantimony(V)chloroantim ny) mue-fluoro-bis(dichlorodifluoroantimonate) )

Material Details

Final Magnetic Moment
0.005 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
-1.858 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.

2.92 g/cm3

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

Decomposes To
Band Gap
2.315 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
C2/c [15]
-C 2yc
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.

Apply Gaussian smoothing:

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
BaZnBiF7 (mvc-10394) 4 0.3791
Ba2Mn2AlF11 (mvc-9693) 4 0.3879
SbXeOF9 (mp-572284) 4 0.3378
Te3I(OF5)3 (mp-554957) 4 0.3575
Sb4Au(Xe2F11)2 (mp-554574) 4 0.2841
Sb11F43 (mp-28294) 2 0.4092
Sb4F15 (mp-28180) 2 0.4288
SbF4 (mp-556425) 2 0.4334
Sb7F29 (mp-29369) 2 0.3910
SeBr4 (mp-651332) 2 0.4195
CaAlH5 (mp-966582) 3 0.3415
SbIF5 (mp-23403) 3 0.3654
Sb2XeF14 (mp-27290) 3 0.3279
Mo3N2Cl11 (mp-680300) 3 0.3424
Sb7Se8F35 (mp-28684) 3 0.3466
Ba2ZnCuSn2F14 (mvc-2068) 5 0.4352
Ba2MgCuSn2F14 (mvc-2080) 5 0.4665
CsSbTe6(OF5)6 (mp-680235) 5 0.4403
Sb3As2S14(IF8)3 (mp-554195) 5 0.4650
Na2Sr6ZnFe6F34 (mp-697817) 5 0.4765
B (mp-161) 1 0.9493
B (mp-632401) 1 0.9161
Ta (mp-569794) 1 0.9985
B (mp-541848) 1 0.9275
Ga (mp-567540) 1 0.6951
AgSbTe6S16(OF5)6 (mp-555028) 6 0.5138
AsSeS2N2ClF6 (mp-561321) 6 0.5980
NbSe2SN2ClF6 (mp-560589) 6 0.6793
Te2As2Se8S(OF6)2 (mp-557236) 6 0.6391
AgAsS6N4(OF3)2 (mp-649756) 6 0.6749
SbTe7SXeCl(OF4)9 (mp-560359) 7 0.6823
SbTe7SXeCl(OF4)9 (mp-581488) 7 0.7260
CdAs2C4SN4(OF6)2 (mp-651073) 7 0.7663
ReAsC5SNO5F7 (mp-565400) 7 0.8208
FeSb2WC8Se2(O2F3)4 (mp-651106) 7 0.8072
NaCa3UH16C3SO25F (mp-707264) 8 1.3570
NaAl6Fe3Si6B3H3O30F (mp-863289) 8 1.1966
FeP2H24C8S4NClO4 (mp-744839) 8 1.2267
CoP2H24C8S4NClO4 (mp-746679) 8 1.1661
GaCoPH18C9NCl2O3 (mp-605176) 8 1.1891
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
Final Energy/Atom
-3.6943 eV
Corrected Energy
-325.1012 eV
-325.1012 eV = -325.1012 eV (uncorrected energy)

Detailed input parameters and outputs for all calculations

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  • 2563

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)