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  1. Third-Parties
  2. MatprojStructure
  3. mp-27230

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-27230
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 3
  • Element list: ['As', 'S', 'O']
  • Chemical System: As-O-S
  • Density: 3.2317110823707527
  • Atomic Density: 0.06302751784739366
  • Unit Cell Volume: 285.58954270708824
  • Molar Volume: 9.554780143145093
  • Full Formula: As4 S2 O12
  • Reduced Formula: As2SO6
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 18
  • Spacegroup Symbol: P2_12_12
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -116.64461988
  • Final energy per atom: -6.480256659999999
  • 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.