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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-42411
  • 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: 24
  • Number of elements: 3
  • Element list: ['Ti', 'Mn', 'O']
  • Chemical System: Mn-O-Ti
  • Density: 4.072189052515183
  • Atomic Density: 0.09012210900226601
  • Unit Cell Volume: 266.30535243462344
  • Molar Volume: 6.682201322927962
  • Full Formula: Ti6 Mn2 O16
  • Reduced Formula: Ti3MnO8
  • Formula Anonymous: AB3C8
  • Spacegroup Number: 186
  • Spacegroup Symbol: P6_3mc
  • Crystal System: hexagonal
  • Pointgroup: 6mm