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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-51400
  • 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: 18
  • Number of elements: 3
  • Element list: ['H', 'N', 'O']
  • Chemical System: H-N-O
  • Density: 1.8173355442752959
  • Atomic Density: 0.12305612125232158
  • Unit Cell Volume: 146.27472259662508
  • Molar Volume: 4.893816495037939
  • Full Formula: H8 N4 O6
  • Reduced Formula: H4N2O3
  • Formula Anonymous: A2B3C4
  • Spacegroup Number: 59
  • Spacegroup Symbol: Pmmn1
  • Crystal System: orthorhombic
  • Pointgroup: mmm