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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-10547
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 16
  • Number of elements: 4
  • Element list: ['Sr', 'B', 'P', 'O']
  • Chemical System: B-O-P-Sr
  • Density: 3.818707223441018
  • Atomic Density: 0.05217014353171814
  • Unit Cell Volume: 306.68882462001284
  • Molar Volume: 11.543270446129192
  • Full Formula: Sr6 B2 P2 O6
  • Reduced Formula: Sr3BPO3
  • Formula Anonymous: ABC3D3
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm