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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-18447
  • 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: 8
  • Number of elements: 3
  • Element list: ['Te', 'Au', 'I']
  • Chemical System: Au-I-Te
  • Density: 7.5769776900005095
  • Atomic Density: 0.031519190653450276
  • Unit Cell Volume: 253.8136238318757
  • Molar Volume: 19.106267119015573
  • Full Formula: Te4 Au2 I2
  • Reduced Formula: Te2AuI
  • Formula Anonymous: ABC2
  • Spacegroup Number: 51
  • Spacegroup Symbol: Pmma
  • Crystal System: orthorhombic
  • Pointgroup: mmm