Tags: Lanthanium cobalt magnesium (4/1/1)

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
-0.122 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.

5.92 g/cm3

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

Decomposes To
Band Gap
0.000 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
F43m [216]
F 4 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
LaTiCrO6 (mvc-11948) 4 1.0950
LaMnCrO6 (mvc-10014) 4 0.9549
BaNb2Bi2O9 (mp-555867) 4 1.0590
Cs2Te(MoO4)3 (mp-624572) 4 0.9972
SrTa2Bi2O9 (mp-556569) 4 1.0431
Hf2Fe (mp-2754) 2 0.9653
Mg2Pd (mp-18316) 2 0.9028
Ti2Ni (mp-1808) 2 0.9871
Zr2Fe (mp-17682) 2 0.9420
SbO2 (mp-22071) 2 0.7534
La4CdCo (mp-581510) 3 0.0790
Nd4MgRu (mp-605835) 3 0.0896
Pr4MgRu (mp-605873) 3 0.0905
La4MgIr (mp-570078) 3 0.0919
Pr4MgCo (mp-645130) 3 0.0687
Ba2La2Mn(WO6)2 (mp-566048) 5 1.1502
TiTlWO5F (mp-690560) 5 1.1884
TiNb2Zn(PbO3)4 (mp-684721) 5 1.2113
Ba2MnNiClF7 (mp-565327) 5 1.1064
TiNbTl(O2F)2 (mp-677378) 5 1.1748
Mn (mp-35) 1 1.3322
Ta (mp-569794) 1 1.1873
Ta (mp-42) 1 1.1731
U (mp-93) 1 1.4216
Ga (mp-567540) 1 1.2771
Ba3LaZnReWO12 (mp-705508) 6 1.4519
H3PbCI3NF3 (mp-977011) 6 1.5254
SbH3CSCl6O (mp-561214) 6 1.6632
Sb4IrC5ClO5F22 (mp-555612) 6 1.6829
Na5Ca2Ce3Ti8Nb2O30 (mp-721094) 6 1.7051
SbTe7SXeCl(OF4)9 (mp-560359) 7 1.8737
KV2H2C8N2(OF)5 (mp-743936) 7 1.7939
SbTe7SXeCl(OF4)9 (mp-581488) 7 1.8229
RuH12C4S2N2Cl2O5 (mp-698381) 7 1.9017
FeSb2WC8Se2(O2F3)4 (mp-651106) 7 1.9067
NaCa3UH16C3SO25F (mp-707264) 8 2.5751
NaAl6Fe3Si6B3H3O30F (mp-863289) 8 2.3491
FeP2H24C8S4NClO4 (mp-744839) 8 2.4474
CoP2H24C8S4NClO4 (mp-746679) 8 2.3969
GaCoPH18C9NCl2O3 (mp-605176) 8 2.0979
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: La Mg_pv Co
Final Energy/Atom
-4.8564 eV
Corrected Energy
-116.5524 eV
-116.5524 eV = -116.5524 eV (uncorrected energy)

Detailed input parameters and outputs for all calculations

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  • 416990

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)