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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-45249
  • 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: 24
  • Number of elements: 4
  • Element list: ['Sr', 'B', 'N', 'F']
  • Chemical System: B-F-N-Sr
  • Density: 3.9107086229597545
  • Atomic Density: 0.06062959206769227
  • Unit Cell Volume: 395.84630510467997
  • Molar Volume: 9.932675702776207
  • Full Formula: Sr8 B4 N8 F4
  • Reduced Formula: Sr2BN2F
  • Formula Anonymous: ABC2D2
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm