Tags: Tetradecabismuth(III) triacontaoxotetravanadate(IV/V)

Material Details

Final Magnetic Moment
8.005 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
-1.881 eV

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

Energy Above Hull / Atom
0.020 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.

7.74 g/cm3

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

Decomposes To
V3(Bi3O8)2 + Bi2O3 + V2O3
Band Gap
1.247 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
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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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
ZnBi6P2O15 (mvc-16210) 4 0.6770
ZnBi6P2O15 (mp-645375) 4 0.6765
Rb2U(MoO5)2 (mp-579811) 4 0.7493
K2U(MoO5)2 (mp-578762) 4 0.6654
Rb6U2W4O21 (mp-645942) 4 0.6796
CrN2 (mp-1016069) 2 1.1000
Si6O13 (mp-673849) 2 1.1228
V2O5 (mp-849565) 2 1.0255
Mo9O26 (mp-640818) 2 0.9668
H34C19 (mp-30168) 2 1.1620
Ce2Mo4O15 (mp-648971) 3 0.8456
V2Pb4O9 (mp-647385) 3 0.7281
BaTa2O6 (mp-676339) 3 0.7579
V2Bi4O11 (mp-761473) 3 0.7559
V2Bi4O11 (mp-767756) 3 0.8356
BaBi12Mo4WO34 (mp-582874) 5 0.6739
CrBi12Mo4PbO34 (mp-642975) 5 0.8247
VH5Se2NO7 (mp-743882) 5 0.8312
TaSi2H35(C3N)4 (mp-570584) 5 0.8219
SrCrBi12(Mo2O17)2 (mp-642974) 5 0.7732
B (mp-632401) 1 1.6181
B (mp-541848) 1 1.7918
Si (mp-644693) 1 1.7316
Si (mp-676011) 1 1.6509
S (mp-608100) 1 1.8036
Mo2AsH18C6NO12 (mp-744843) 6 0.8940
NaCa2LuSi2O7F2 (mp-720948) 6 0.9087
Na2TeHSO5F3 (mp-696485) 6 0.9066
ZrH11C4NOF5 (mp-709143) 6 0.7692
K3Ca2Mg10Si16(HO12)4 (mp-720217) 6 0.8987
V2PH10C2N2O8F (mp-744631) 7 0.9753
LiBeH8CNOF4 (mp-560581) 7 1.0664
K2Mo2H12C4N(OF3)3 (mp-744190) 7 1.0514
SiPH18C6INCl (mp-738707) 7 0.9932
SnH21C7S4N(O3F)2 (mp-554187) 7 1.0410
NaCa3UH16C3SO25F (mp-707264) 8 1.3855
NaAl6Fe3Si6B3H3O30F (mp-863289) 8 1.4843
FeP2H24C8S4NClO4 (mp-744839) 8 1.0184
CoP2H24C8S4NClO4 (mp-746679) 8 1.0162
GaCoPH18C9NCl2O3 (mp-605176) 8 1.0215
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
V: 3.25 eV
Final Energy/Atom
-6.2758 eV
Corrected Energy
-1316.1351 eV
-1316.1351 eV = -1204.9483 eV (uncorrected energy) - 84.2748 eV (MP Anion Correction) - 26.9120 eV (MP Advanced Correction)

Detailed input parameters and outputs for all calculations

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  • 391414

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)