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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-16402
  • 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: 6
  • Number of elements: 3
  • Element list: ['Ti', 'Te', 'As']
  • Chemical System: As-Te-Ti
  • Density: 6.710190901627248
  • Atomic Density: 0.04841639853016711
  • Unit Cell Volume: 123.92495481177812
  • Molar Volume: 12.438225359219453
  • Full Formula: Ti2 Te2 As2
  • Reduced Formula: TiTeAs
  • Formula Anonymous: ABC
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm