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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-21028
  • 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: 40
  • Number of elements: 3
  • Element list: ['K', 'Nb', 'F']
  • Chemical System: F-K-Nb
  • Density: 3.206175976326497
  • Atomic Density: 0.06349412540902168
  • Unit Cell Volume: 629.9795412933828
  • Molar Volume: 9.48456368397246
  • Full Formula: K8 Nb4 F28
  • Reduced Formula: K2NbF7
  • Formula Anonymous: AB2C7
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m