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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-112709
  • 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: 13
  • Number of elements: 4
  • Element list: ['Ba', 'Sr', 'P', 'O']
  • Chemical System: Ba-O-P-Sr
  • Density: 4.909446596343346
  • Atomic Density: 0.06960128213579711
  • Unit Cell Volume: 186.77816846298987
  • Molar Volume: 8.652341702916292
  • Full Formula: Ba2 Sr1 P2 O8
  • Reduced Formula: Ba2Sr(PO4)2
  • Formula Anonymous: AB2C2D8
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m