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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-13081
  • 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: 14
  • Number of elements: 3
  • Element list: ['Ba', 'B', 'S']
  • Chemical System: B-Ba-S
  • Density: 3.2118466869380473
  • Atomic Density: 0.04714175042730337
  • Unit Cell Volume: 296.97666872996587
  • Molar Volume: 12.774537868055319
  • Full Formula: Ba2 B4 S8
  • Reduced Formula: Ba(BS2)2
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m