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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-40494
  • 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: 11
  • Number of elements: 3
  • Element list: ['Ti', 'P', 'O']
  • Chemical System: O-P-Ti
  • Density: 3.5779662537038766
  • Atomic Density: 0.08270813965866768
  • Unit Cell Volume: 132.9977925437139
  • Molar Volume: 7.281194795159306
  • Full Formula: Ti3 P1 O7
  • Reduced Formula: Ti3PO7
  • Formula Anonymous: AB3C7
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m