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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-62215
  • 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: 23
  • Number of elements: 4
  • Element list: ['Ca', 'Al', 'S', 'O']
  • Chemical System: Al-Ca-O-S
  • Density: 2.4254891269635874
  • Atomic Density: 0.06150061237868153
  • Unit Cell Volume: 373.98001597741296
  • Molar Volume: 9.79200129410013
  • Full Formula: Ca4 Al6 S1 O12
  • Reduced Formula: Ca4Al6SO12
  • Formula Anonymous: AB4C6D12
  • Spacegroup Number: 217
  • Spacegroup Symbol: I-43m
  • Crystal System: cubic
  • Pointgroup: -43m