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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-51668
  • 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: 22
  • Number of elements: 4
  • Element list: ['Ba', 'P', 'H', 'O']
  • Chemical System: Ba-H-O-P
  • Density: 2.9917482003558225
  • Atomic Density: 0.07414183950267707
  • Unit Cell Volume: 296.728542852051
  • Molar Volume: 8.12245932983974
  • Full Formula: Ba2 P4 H8 O8
  • Reduced Formula: BaP2(HO)4
  • Formula Anonymous: AB2C4D4
  • Spacegroup Number: 68
  • Spacegroup Symbol: Ccce1
  • Crystal System: orthorhombic
  • Pointgroup: mmm