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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-52171
  • 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: 3
  • Number of elements: 3
  • Element list: ['Nd', 'O', 'F']
  • Chemical System: F-Nd-O
  • Density: 6.6394682328458545
  • Atomic Density: 0.06692232121949307
  • Unit Cell Volume: 44.828092411208274
  • Molar Volume: 8.998702750086135
  • Full Formula: Nd1 O1 F1
  • Reduced Formula: NdOF
  • Formula Anonymous: ABC
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m