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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-57073
  • 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: 20
  • Number of elements: 3
  • Element list: ['Ca', 'Si', 'O']
  • Chemical System: Ca-O-Si
  • Density: 4.132659260137013
  • Atomic Density: 0.10712418889471798
  • Unit Cell Volume: 186.69919657133713
  • Molar Volume: 5.621644207657507
  • Full Formula: Ca4 Si4 O12
  • Reduced Formula: CaSiO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 74
  • Spacegroup Symbol: Imma
  • Crystal System: orthorhombic
  • Pointgroup: mmm