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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-95595
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 54
  • Number of elements: 4
  • Element list: ['P', 'H', 'N', 'O']
  • Chemical System: H-N-O-P
  • Density: 1.949281850765382
  • Atomic Density: 0.10424922360712384
  • Unit Cell Volume: 517.9894691926504
  • Molar Volume: 5.77667684384412
  • Full Formula: P6 H22 N8 O18
  • Reduced Formula: P3H11N4O9
  • Formula Anonymous: A3B4C9D11
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1