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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-33719
  • 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: 20
  • Number of elements: 4
  • Element list: ['P', 'H', 'N', 'O']
  • Chemical System: H-N-O-P
  • Density: 1.6499635400610004
  • Atomic Density: 0.11967582134461695
  • Unit Cell Volume: 167.1181344342585
  • Molar Volume: 5.032044645558538
  • Full Formula: P2 H12 N2 O4
  • Reduced Formula: PH6NO2
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 67
  • Spacegroup Symbol: Cmme
  • Crystal System: orthorhombic
  • Pointgroup: mmm