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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-108167
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['Mg', 'Sc', 'Se']
  • Chemical System: Mg-Sc-Se
  • Density: 4.01940888574061
  • Atomic Density: 0.03953317760138115
  • Unit Cell Volume: 252.9520925646674
  • Molar Volume: 15.233131069609765
  • Full Formula: Mg2 Sc2 Se6
  • Reduced Formula: MgScSe3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m