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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-31149
  • 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: 38
  • Number of elements: 3
  • Element list: ['Zr', 'In', 'F']
  • Chemical System: F-In-Zr
  • Density: 4.648983867025994
  • Atomic Density: 0.07898540264788828
  • Unit Cell Volume: 481.1015545416853
  • Molar Volume: 7.62437179290749
  • Full Formula: Zr6 In2 F30
  • Reduced Formula: Zr3InF15
  • Formula Anonymous: AB3C15
  • Spacegroup Number: 167
  • Spacegroup Symbol: R-3cH
  • Crystal System: trigonal
  • Pointgroup: -3m