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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-61501
  • 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: 28
  • Number of elements: 4
  • Element list: ['Na', 'Ca', 'As', 'O']
  • Chemical System: As-Ca-Na-O
  • Density: 3.3025684417581993
  • Atomic Density: 0.06892510181472807
  • Unit Cell Volume: 406.23806512850007
  • Molar Volume: 8.737224322406696
  • Full Formula: Na4 Ca4 As4 O16
  • Reduced Formula: NaCaAsO4
  • Formula Anonymous: ABCD4
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm