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  1. Third-Parties
  2. MatprojStructure
  3. mp-770191

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-770191
  • 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: 76
  • Number of elements: 4
  • Element list: ['Li', 'V', 'S', 'O']
  • Chemical System: Li-O-S-V
  • Density: 2.727470897550656
  • Atomic Density: 0.07725631799583171
  • Unit Cell Volume: 983.7383138567451
  • Molar Volume: 7.795013943487339
  • Full Formula: Li8 V8 S12 O48
  • Reduced Formula: Li2V2(SO4)3
  • Formula Anonymous: A2B2C3D12
  • Spacegroup Number: 60
  • Spacegroup Symbol: Pbcn
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -538.84393331
  • Final energy per atom: -7.090051754078948
  • 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.