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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-119464
  • 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: 16
  • Number of elements: 3
  • Element list: ['K', 'Ba', 'As']
  • Chemical System: As-Ba-K
  • Density: 3.9923582217244724
  • Atomic Density: 0.03259278870526731
  • Unit Cell Volume: 490.9061370809993
  • Molar Volume: 18.47691160906021
  • Full Formula: K4 Ba2 As10
  • Reduced Formula: K2BaAs5
  • Formula Anonymous: AB2C5
  • Spacegroup Number: 36
  • Spacegroup Symbol: Cmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2