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  1. Third-Parties
  2. MatprojStructure
  3. mp-677070

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-677070
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 50
  • Number of elements: 3
  • Element list: ['V', 'Ni', 'O']
  • Chemical System: Ni-O-V
  • Density: 4.7616907930798735
  • Atomic Density: 0.09468161205685331
  • Unit Cell Volume: 528.08564317617
  • Molar Volume: 6.3604121530840585
  • Full Formula: V18 Ni2 O30
  • Reduced Formula: V9NiO15
  • Formula Anonymous: AB9C15
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -443.55044764
  • Final energy per atom: -8.8710089528
  • 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.