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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-12682
  • 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: 16
  • Number of elements: 5
  • Element list: ['Li', 'Ti', 'P', 'O', 'F']
  • Chemical System: F-Li-O-P-Ti
  • Density: 3.0813017935140974
  • Atomic Density: 0.08795487063835074
  • Unit Cell Volume: 181.91147214334666
  • Molar Volume: 6.846853069412828
  • Full Formula: Li2 Ti2 P2 O8 F2
  • Reduced Formula: LiTiPO4F
  • Formula Anonymous: ABCDE4
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1