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Entry Data

Table mix-ins: ['Structure'] Extra columns: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-59864
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 14
  • Number of elements: 3
  • Element list: ['Mg', 'Ti', 'S']
  • Chemical System: Mg-S-Ti
  • Density: 2.956400990162145
  • Atomic Density: 0.050192324730823384
  • Unit Cell Volume: 278.9271083792324
  • Molar Volume: 11.998130774567949
  • Full Formula: Mg2 Ti4 S8
  • Reduced Formula: Mg(TiS2)2
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 74
  • Spacegroup Symbol: Imma
  • Crystal System: orthorhombic
  • Pointgroup: mmm