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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-55239
  • 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: 24
  • Number of elements: 3
  • Element list: ['K', 'Nb', 'As']
  • Chemical System: As-K-Nb
  • Density: 2.879365537812796
  • Atomic Density: 0.03122997239397428
  • Unit Cell Volume: 768.492514089789
  • Molar Volume: 19.283208720229137
  • Full Formula: K14 Nb2 As8
  • Reduced Formula: K7NbAs4
  • Formula Anonymous: AB4C7
  • Spacegroup Number: 31
  • Spacegroup Symbol: Pmn2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2