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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-121259
  • 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: 3
  • Number of elements: 3
  • Element list: ['Na', 'Ti', 'Se']
  • Chemical System: Na-Se-Ti
  • Density: 3.450553755354134
  • Atomic Density: 0.041610269374519705
  • Unit Cell Volume: 72.09758660772016
  • Molar Volume: 14.472727166932724
  • Full Formula: Na1 Ti1 Se1
  • Reduced Formula: NaTiSe
  • Formula Anonymous: ABC
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm