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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-118697
  • 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: ['Mg', 'S', 'O']
  • Chemical System: Mg-O-S
  • Density: 2.105795513500253
  • Atomic Density: 0.05256944370876678
  • Unit Cell Volume: 57.06737200073705
  • Molar Volume: 11.455591566390712
  • Full Formula: Mg1 S1 O1
  • Reduced Formula: MgSO
  • Formula Anonymous: ABC
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm