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  1. Third-Parties
  2. MatprojStructure
  3. mp-1197884

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-1197884
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 58
  • Number of elements: 6
  • Element list: ['V', 'H', 'C', 'S', 'O', 'F']
  • Chemical System: C-F-H-O-S-V
  • Density: 1.9330010729848606
  • Atomic Density: 0.08521086230884944
  • Unit Cell Volume: 680.6643945202336
  • Molar Volume: 7.067339300208655
  • Full Formula: V1 H17 C4 S4 O20 F12
  • Reduced Formula: VH17C4S4(O5F3)4
  • Formula Anonymous: AB4C4D12E17F20
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -335.85664451
  • Final energy per atom: -5.790631801896552
  • 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.