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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-98944
  • 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: 52
  • Number of elements: 5
  • Element list: ['Mo', 'H', 'N', 'O', 'F']
  • Chemical System: F-H-Mo-N-O
  • Density: 2.9078602926521535
  • Atomic Density: 0.11270399951382278
  • Unit Cell Volume: 461.3855783673619
  • Molar Volume: 5.3433248030043545
  • Full Formula: Mo4 H24 N4 O12 F8
  • Reduced Formula: MoH6NO3F2
  • Formula Anonymous: ABC2D3E6
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m