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  1. Third-Parties
  2. MatprojStructure
  3. mp-1178817

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-1178817
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 13
  • Number of elements: 4
  • Element list: ['V', 'H', 'O', 'F']
  • Chemical System: F-H-O-V
  • Density: 0.7680079458129936
  • Atomic Density: 0.0371186128243743
  • Unit Cell Volume: 350.2286052959237
  • Molar Volume: 16.224045840542573
  • Full Formula: V1 H6 O3 F3
  • Reduced Formula: VH6(OF)3
  • Formula Anonymous: AB3C3D6
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -63.25325879
  • Final energy per atom: -4.865635291538461
  • 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.