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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-11084
  • 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: 12
  • Number of elements: 3
  • Element list: ['K', 'Ti', 'O']
  • Chemical System: K-O-Ti
  • Density: 3.0129804728804928
  • Atomic Density: 0.06254534603602194
  • Unit Cell Volume: 191.86079797350234
  • Molar Volume: 9.628439431019615
  • Full Formula: K4 Ti2 O6
  • Reduced Formula: K2TiO3
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm