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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-57506
  • 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: 28
  • Number of elements: 4
  • Element list: ['K', 'N', 'Cl', 'O']
  • Chemical System: Cl-K-N-O
  • Density: 2.6868725764995367
  • Atomic Density: 0.06448173776259108
  • Unit Cell Volume: 434.23147346137637
  • Molar Volume: 9.339296627166474
  • Full Formula: K8 N4 Cl4 O12
  • Reduced Formula: K2NClO3
  • Formula Anonymous: ABC2D3
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm