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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-758378
  • 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: 68
  • Number of elements: 5
  • Element list: ['V', 'Ni', 'H', 'N', 'O']
  • Chemical System: H-N-Ni-O-V
  • Density: 2.4924307923984075
  • Atomic Density: 0.08779640877905556
  • Unit Cell Volume: 774.519151132089
  • Molar Volume: 6.859210807989931
  • Full Formula: V8 Ni4 H24 N8 O24
  • Reduced Formula: V2NiH6(NO3)2
  • Formula Anonymous: AB2C2D6E6
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -455.13488278
  • Final energy per atom: -6.693160040882353
  • 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.