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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-113071
  • 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: 22
  • Number of elements: 6
  • Element list: ['Na', 'Pr', 'Ti', 'Nb', 'O', 'F']
  • Chemical System: F-Na-Nb-O-Pr-Ti
  • Density: 4.930345309934266
  • Atomic Density: 0.07782471714454176
  • Unit Cell Volume: 282.68653979352075
  • Molar Volume: 7.738082425426924
  • Full Formula: Na2 Pr2 Ti2 Nb2 O12 F2
  • Reduced Formula: NaPrTiNbO6F
  • Formula Anonymous: ABCDEF6
  • Spacegroup Number: 74
  • Spacegroup Symbol: Imma
  • Crystal System: orthorhombic
  • Pointgroup: mmm