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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-22780
  • 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: 32
  • Number of elements: 3
  • Element list: ['Mg', 'Se', 'O']
  • Chemical System: Mg-O-Se
  • Density: 4.010715036912949
  • Atomic Density: 0.07368745721986766
  • Unit Cell Volume: 434.2665795145953
  • Molar Volume: 8.172545216251955
  • Full Formula: Mg4 Se8 O20
  • Reduced Formula: MgSe2O5
  • Formula Anonymous: AB2C5
  • Spacegroup Number: 60
  • Spacegroup Symbol: Pbcn
  • Crystal System: orthorhombic
  • Pointgroup: mmm