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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-65321
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Ba', 'Na', 'Zr']
  • Chemical System: Ba-Na-Zr
  • Density: 3.3915731588962217
  • Atomic Density: 0.029759211597955307
  • Unit Cell Volume: 134.41216299812297
  • Molar Volume: 20.236224135769003
  • Full Formula: Ba1 Na2 Zr1
  • Reduced Formula: BaNa2Zr
  • Formula Anonymous: ABC2
  • Spacegroup Number: 25
  • Spacegroup Symbol: Pmm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2