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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-25585
  • 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: 39
  • Number of elements: 5
  • Element list: ['Ca', 'Mg', 'Si', 'O', 'F']
  • Chemical System: Ca-F-Mg-O-Si
  • Density: 2.955413297220228
  • Atomic Density: 0.0850272389897809
  • Unit Cell Volume: 458.6765425217119
  • Molar Volume: 7.08260180096378
  • Full Formula: Ca2 Mg5 Si8 O22 F2
  • Reduced Formula: Ca2Mg5Si8(O11F)2
  • Formula Anonymous: A2B2C5D8E22
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m