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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-36950
  • 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: 10
  • Number of elements: 3
  • Element list: ['Ca', 'Tc', 'O']
  • Chemical System: Ca-O-Tc
  • Density: 5.299325084990197
  • Atomic Density: 0.08575326023918824
  • Unit Cell Volume: 116.61364211818173
  • Molar Volume: 7.022637673719549
  • Full Formula: Ca2 Tc2 O6
  • Reduced Formula: CaTcO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 167
  • Spacegroup Symbol: R-3cH
  • Crystal System: trigonal
  • Pointgroup: -3m