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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-50046
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 8
  • Number of elements: 3
  • Element list: ['Sm', 'Tl', 'O']
  • Chemical System: O-Sm-Tl
  • Density: 8.926409690009748
  • Atomic Density: 0.05559890754406477
  • Unit Cell Volume: 143.8877192624625
  • Molar Volume: 10.831401237923908
  • Full Formula: Sm2 Tl2 O4
  • Reduced Formula: SmTlO2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm