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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-109655
  • 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: 4
  • Element list: ['Zr', 'Si', 'Te', 'As']
  • Chemical System: As-Si-Te-Zr
  • Density: 6.301622761406269
  • Atomic Density: 0.04211475223156822
  • Unit Cell Volume: 142.46789265217478
  • Molar Volume: 14.299361722199437
  • Full Formula: Zr2 Si1 Te2 As1
  • Reduced Formula: Zr2SiTe2As
  • Formula Anonymous: ABC2D2
  • Spacegroup Number: 115
  • Spacegroup Symbol: P-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2