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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-52770
  • 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: 20
  • Number of elements: 5
  • Element list: ['Na', 'H', 'C', 'N', 'O']
  • Chemical System: C-H-N-Na-O
  • Density: 1.7778935816365413
  • Atomic Density: 0.09728921223943711
  • Unit Cell Volume: 205.57263790746174
  • Molar Volume: 6.189936809416233
  • Full Formula: Na2 H6 C2 N8 O2
  • Reduced Formula: NaH3CN4O
  • Formula Anonymous: ABCD3E4
  • Spacegroup Number: 51
  • Spacegroup Symbol: Pmma
  • Crystal System: orthorhombic
  • Pointgroup: mmm