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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-13318
  • 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: 14
  • Number of elements: 3
  • Element list: ['Ba', 'Nd', 'Se']
  • Chemical System: Ba-Nd-Se
  • Density: 6.35290876019461
  • Atomic Density: 0.03610954149833972
  • Unit Cell Volume: 387.70915993612675
  • Molar Volume: 16.677422393405056
  • Full Formula: Ba2 Nd4 Se8
  • Reduced Formula: Ba(NdSe2)2
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 122
  • Spacegroup Symbol: I-42d
  • Crystal System: tetragonal
  • Pointgroup: -42m