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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-23296
  • 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: 80
  • Number of elements: 4
  • Element list: ['Ca', 'Cr', 'Si', 'O']
  • Chemical System: Ca-Cr-O-Si
  • Density: 3.7941370894679016
  • Atomic Density: 0.0913084761328316
  • Unit Cell Volume: 876.1508612148939
  • Molar Volume: 6.595379766539144
  • Full Formula: Ca12 Cr8 Si12 O48
  • Reduced Formula: Ca3Cr2(SiO4)3
  • Formula Anonymous: A2B3C3D12
  • Spacegroup Number: 230
  • Spacegroup Symbol: Ia-3d
  • Crystal System: cubic
  • Pointgroup: m-3m