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  1. Third-Parties
  2. MatprojStructure
  3. mp-691129

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-691129
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['V', 'N', 'O']
  • Chemical System: N-O-V
  • Density: 5.387703643352698
  • Atomic Density: 0.09930261165177412
  • Unit Cell Volume: 100.70228600902404
  • Molar Volume: 6.064433412001214
  • Full Formula: V5 N4 O1
  • Reduced Formula: V5N4O
  • Formula Anonymous: AB4C5
  • Spacegroup Number: 87
  • Spacegroup Symbol: I4/m
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -92.1952371
  • Final energy per atom: -9.21952371
  • 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.