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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-53210
  • 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: 22
  • Number of elements: 5
  • Element list: ['Nd', 'Ti', 'Cd', 'O', 'F']
  • Chemical System: Cd-F-Nd-O-Ti
  • Density: 5.663499218583471
  • Atomic Density: 0.08027062284711287
  • Unit Cell Volume: 274.0728702442264
  • Molar Volume: 7.502297286854305
  • Full Formula: Nd2 Ti4 Cd2 O12 F2
  • Reduced Formula: NdTi2CdO6F
  • Formula Anonymous: ABCD2E6
  • Spacegroup Number: 74
  • Spacegroup Symbol: Imma
  • Crystal System: orthorhombic
  • Pointgroup: mmm