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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-119260
  • 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: 28
  • Number of elements: 3
  • Element list: ['Ti', 'Mn', 'O']
  • Chemical System: Mn-O-Ti
  • Density: 4.563369854943133
  • Atomic Density: 0.08961154676122786
  • Unit Cell Volume: 312.4597332819919
  • Molar Volume: 6.720273198772186
  • Full Formula: Ti8 Mn4 O16
  • Reduced Formula: Ti2MnO4
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 227
  • Spacegroup Symbol: Fd-3m1
  • Crystal System: cubic
  • Pointgroup: m-3m