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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-4005
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 5
  • Number of elements: 3
  • Element list: ['Na', 'Cl', 'O']
  • Chemical System: Cl-Na-O
  • Density: 2.207720813063717
  • Atomic Density: 0.05520269450633748
  • Unit Cell Volume: 90.575288846199
  • Molar Volume: 10.909142776189366
  • Full Formula: Na3 Cl1 O1
  • Reduced Formula: Na3ClO
  • Formula Anonymous: ABC3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m