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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-97901
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 48
  • Number of elements: 6
  • Element list: ['Na', 'H', 'C', 'S', 'O', 'F']
  • Chemical System: C-F-H-Na-O-S
  • Density: 2.015869371139096
  • Atomic Density: 0.076642816777415
  • Unit Cell Volume: 626.2817837110675
  • Molar Volume: 7.85741053527484
  • Full Formula: Na4 H8 C4 S4 O16 F12
  • Reduced Formula: NaH2CSO4F3
  • Formula Anonymous: ABCD2E3F4
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m