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  1. Third-Parties
  2. MatprojStructure
  3. mp-704408

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-704408
  • 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: 172
  • Number of elements: 4
  • Element list: ['K', 'V', 'S', 'O']
  • Chemical System: K-O-S-V
  • Density: 2.484377638746936
  • Atomic Density: 0.061916067532912324
  • Unit Cell Volume: 2777.9542024139546
  • Molar Volume: 9.726297227773468
  • Full Formula: K32 V8 S24 O108
  • Reduced Formula: K8V2(S2O9)3
  • Formula Anonymous: A2B6C8D27
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -1122.84197859
  • Final energy per atom: -6.528151038313954
  • 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.