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  1. Third-Parties
  2. MatprojStructure
  3. mp-27726

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-27726
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 6
  • Number of elements: 2
  • Element list: ['S', 'O']
  • Chemical System: O-S
  • Density: 1.4003950306506643
  • Atomic Density: 0.039492081317829456
  • Unit Cell Volume: 151.92919187298403
  • Molar Volume: 15.248982983535965
  • Full Formula: S2 O4
  • Reduced Formula: SO2
  • Formula Anonymous: AB2
  • Spacegroup Number: 41
  • Spacegroup Symbol: Aea2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -37.19792191
  • Final energy per atom: -6.199653651666666
  • 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.