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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-112605
  • 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: 12
  • Number of elements: 4
  • Element list: ['Ba', 'Nd', 'Cu', 'Te']
  • Chemical System: Ba-Cu-Nd-Te
  • Density: 6.170466773505509
  • Atomic Density: 0.030629471417235293
  • Unit Cell Volume: 391.7795327426893
  • Molar Volume: 19.661262442195866
  • Full Formula: Ba2 Nd2 Cu2 Te6
  • Reduced Formula: BaNdCuTe3
  • Formula Anonymous: ABCD3
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm