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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-23407
  • 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: 12
  • Number of elements: 2
  • Element list: ['Ti', 'P']
  • Chemical System: P-Ti
  • Density: 4.17226835735663
  • Atomic Density: 0.06864115901056571
  • Unit Cell Volume: 174.82222289039262
  • Molar Volume: 8.77336695185032
  • Full Formula: Ti4 P8
  • Reduced Formula: TiP2
  • Formula Anonymous: AB2
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm