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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-85547
  • 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: 6
  • Number of elements: 3
  • Element list: ['Ca', 'U', 'O']
  • Chemical System: Ca-O-U
  • Density: 7.342528143016469
  • Atomic Density: 0.07755128050218447
  • Unit Cell Volume: 77.36816157189037
  • Molar Volume: 7.765365988805779
  • Full Formula: Ca1 U1 O4
  • Reduced Formula: CaUO4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m