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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-112660
  • 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: 20
  • Number of elements: 4
  • Element list: ['Na', 'Tm', 'Ti', 'O']
  • Chemical System: Na-O-Ti-Tm
  • Density: 5.811443142896084
  • Atomic Density: 0.09122098046431909
  • Unit Cell Volume: 219.24780788585102
  • Molar Volume: 6.601705802050165
  • Full Formula: Na2 Tm2 Ti4 O12
  • Reduced Formula: NaTmTi2O6
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 31
  • Spacegroup Symbol: Pmn2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2