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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-21025
  • 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: 44
  • Number of elements: 3
  • Element list: ['Na', 'Al', 'F']
  • Chemical System: Al-F-Na
  • Density: 2.971707405700281
  • Atomic Density: 0.0852430214082675
  • Unit Cell Volume: 516.1712862014127
  • Molar Volume: 7.0646730494889844
  • Full Formula: Na10 Al6 F28
  • Reduced Formula: Na5Al3F14
  • Formula Anonymous: A3B5C14
  • Spacegroup Number: 128
  • Spacegroup Symbol: P4/mnc
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm