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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-88048
  • 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', 'C', 'O']
  • Chemical System: C-Mg-O
  • Density: 3.142375149006354
  • Atomic Density: 0.11222245367953511
  • Unit Cell Volume: 89.10872710514973
  • Molar Volume: 5.36625297571639
  • Full Formula: Mg2 C2 O6
  • Reduced Formula: MgCO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 20
  • Spacegroup Symbol: C222_1
  • Crystal System: orthorhombic
  • Pointgroup: 222