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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-59000
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 20
  • Number of elements: 3
  • Element list: ['Na', 'Sc', 'Br']
  • Chemical System: Br-Na-Sc
  • Density: 3.3439828743491384
  • Atomic Density: 0.03393943212860288
  • Unit Cell Volume: 589.285051211707
  • Molar Volume: 17.743787630803542
  • Full Formula: Na6 Sc2 Br12
  • Reduced Formula: Na3ScBr6
  • Formula Anonymous: AB3C6
  • Spacegroup Number: 163
  • Spacegroup Symbol: P-31c
  • Crystal System: trigonal
  • Pointgroup: -31m