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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-102330
  • 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: 9
  • Number of elements: 3
  • Element list: ['Na', 'Th', 'F']
  • Chemical System: F-Na-Th
  • Density: 5.011476841552738
  • Atomic Density: 0.069288983486546
  • Unit Cell Volume: 129.89077840559676
  • Molar Volume: 8.691339455383025
  • Full Formula: Na2 Th1 F6
  • Reduced Formula: Na2ThF6
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm