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  1. Third-Parties
  2. MatprojStructure
  3. mp-542027

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-542027
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 60
  • Number of elements: 4
  • Element list: ['V', 'Ni', 'H', 'O']
  • Chemical System: H-Ni-O-V
  • Density: 2.6658311840790234
  • Atomic Density: 0.08229917782797817
  • Unit Cell Volume: 729.0473803445773
  • Molar Volume: 7.317376575240503
  • Full Formula: V8 Ni4 H16 O32
  • Reduced Formula: V2Ni(HO2)4
  • Formula Anonymous: AB2C4D8
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -414.68877856
  • Final energy per atom: -6.9114796426666665
  • 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.