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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-50120
  • 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: 12
  • Number of elements: 3
  • Element list: ['Nd', 'Se', 'O']
  • Chemical System: Nd-O-Se
  • Density: 6.608253076710345
  • Atomic Density: 0.04991086618147556
  • Unit Cell Volume: 240.42860639541064
  • Molar Volume: 12.065790920364995
  • Full Formula: Nd4 Se4 O4
  • Reduced Formula: NdSeO
  • Formula Anonymous: ABC
  • Spacegroup Number: 64
  • Spacegroup Symbol: Cmce
  • Crystal System: orthorhombic
  • Pointgroup: mmm