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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-21363
  • 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: 20
  • Number of elements: 3
  • Element list: ['Ti', 'P', 'O']
  • Chemical System: O-P-Ti
  • Density: 2.883937980000305
  • Atomic Density: 0.07829879219090691
  • Unit Cell Volume: 255.43178177303562
  • Molar Volume: 7.691230722074114
  • Full Formula: Ti2 P4 O14
  • Reduced Formula: TiP2O7
  • Formula Anonymous: AB2C7
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1