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  1. Third-Parties
  2. MatprojStructure
  3. mp-1201984

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-1201984
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 58
  • Number of elements: 3
  • Element list: ['V', 'Ni', 'O']
  • Chemical System: Ni-O-V
  • Density: 2.551795285937519
  • Atomic Density: 0.06540347503350047
  • Unit Cell Volume: 886.8030325650385
  • Molar Volume: 9.20767704914056
  • Full Formula: V10 Ni2 O46
  • Reduced Formula: V5NiO23
  • Formula Anonymous: AB5C23
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -379.20098913
  • Final energy per atom: -6.5379480884482755
  • 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.