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  1. Third-Parties
  2. MatprojStructure
  3. mp-1200671

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-1200671
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 66
  • Number of elements: 6
  • Element list: ['V', 'H', 'C', 'S', 'O', 'F']
  • Chemical System: C-F-H-O-S-V
  • Density: 1.8468126186202098
  • Atomic Density: 0.08063579319266485
  • Unit Cell Volume: 818.4950799988383
  • Molar Volume: 7.468322095637067
  • Full Formula: V2 H20 C4 S4 O24 F12
  • Reduced Formula: VH10C2S2(O2F)6
  • Formula Anonymous: AB2C2D6E10F12
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -388.34561515
  • Final energy per atom: -5.884024471969697
  • 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.