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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-3903
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 5
  • Number of elements: 3
  • Element list: ['Bi', 'Te', 'S']
  • Chemical System: Bi-S-Te
  • Density: 7.212706827423793
  • Atomic Density: 0.030795764838984652
  • Unit Cell Volume: 162.35998768474983
  • Molar Volume: 19.5550939925886
  • Full Formula: Bi2 Te2 S1
  • Reduced Formula: Bi2Te2S
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m