Warnings: [?]
  1. Structure is highly unstable (calculated energy above hull > 100 meV).

Tags: Tetrakis(tetracarbonylcobalt)tin

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
-0.845 eV

Calculated formation energy from the elements normalized to per atom in the unit cell.

Energy Above Hull / Atom
0.392 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.

1.94 g/cm3

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

Decomposes To
C + CoCO3 + CO2 + SnO2
Band Gap
2.127 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
F43c [219]
F 4c 2 3
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
Fe4Pb(CO)16 (mp-652092) 4 0.5555
Co4Pb(CO)16 (mp-653887) 4 0.3037
Fe4Sn(CO)16 (mp-706411) 4 0.5991
Fe2C8SO10 (mp-647840) 4 0.5690
Fe3C10SeO10 (mp-704545) 4 0.5574
H2S (mp-696805) 2 0.7561
C5N4 (mp-651723) 2 0.7431
SO3 (mp-561397) 2 0.7151
Se2O5 (mp-27358) 2 0.7482
SO3 (mp-2414) 2 0.6664
Os2(CO)7 (mp-28636) 3 0.6756
SbN6Cl (mp-628690) 3 0.6626
Ir3(CO)8 (mp-667545) 3 0.5848
RbH3O2 (mp-28264) 3 0.6496
HClO4 (mp-706301) 3 0.6342
Ga2RhC4Cl7O4 (mp-572409) 5 0.6396
Co2SnC8(ClO4)2 (mp-653922) 5 0.5514
Al2RhC4Cl7O4 (mp-680477) 5 0.6259
H4Ru3C9N2O9 (mp-720439) 5 0.6589
Fe2MoC10(SeO5)2 (mp-624052) 5 0.6281
S (mp-655141) 1 0.8537
N2 (mp-568584) 1 1.1619
O2 (mp-560602) 1 0.8073
S (mp-608100) 1 0.8114
U (mp-43) 1 1.3250
K2H6PtC4N4O3 (mp-720283) 6 0.7173
KGaBP2H3O10 (mp-695655) 6 0.6819
NaH2CSO4F3 (mp-601228) 6 0.6843
HPbCSNO (mp-643306) 6 0.6976
Fe2TeWC10SeO10 (mp-624009) 6 0.6466
BaH2C4S4N2(O3F4)3 (mp-554761) 7 0.8814
KNaH6PtC4N4O3 (mp-696179) 7 0.8517
SiPH18C6INCl (mp-738707) 7 0.8816
Cu3As4H18C8I3(NO2)2 (mp-542554) 7 0.8645
CsCu3As8H24C8(IO2)4 (mp-605196) 7 0.8742
NaCa3UH16C3SO25F (mp-707264) 8 1.1841
NaAl6Fe3Si6B3H3O30F (mp-863289) 8 1.4374
FeP2H24C8S4NClO4 (mp-744839) 8 0.8753
CoP2H24C8S4NClO4 (mp-746679) 8 0.8474
GaCoPH18C9NCl2O3 (mp-605176) 8 0.8470
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
Co: 3.32 eV
Final Energy/Atom
-7.3391 eV
Corrected Energy
-580.5621 eV
-580.5621 eV = -543.0969 eV (uncorrected energy) - 22.4733 eV (MP Anion Correction) - 14.9920 eV (MP Advanced Correction)

Detailed input parameters and outputs for all calculations

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  • 67320

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)