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  1. Third-Parties
  2. MatprojStructure
  3. mp-1220407

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-1220407
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 4
  • Number of elements: 4
  • Element list: ['Nb', 'V', 'C', 'N']
  • Chemical System: C-N-Nb-V
  • Density: 6.916496592681831
  • Atomic Density: 0.09808270662865172
  • Unit Cell Volume: 40.7819088347989
  • Molar Volume: 6.139859886616164
  • Full Formula: Nb1 V1 C1 N1
  • Reduced Formula: NbVCN
  • Formula Anonymous: ABCD
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m

Thermodynamics:

  • Final energy: -39.8014876
  • Final energy per atom: -9.9503719
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.