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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-59276
  • 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: ['Li', 'Ca', 'Ta', 'O', 'F']
  • Chemical System: Ca-F-Li-O-Ta
  • Density: 6.138104748218685
  • Atomic Density: 0.07761069226992987
  • Unit Cell Volume: 283.46609670074884
  • Molar Volume: 7.759421522816733
  • Full Formula: Li2 Ca2 Ta4 O12 F2
  • Reduced Formula: LiCaTa2O6F
  • Formula Anonymous: ABCD2E6
  • Spacegroup Number: 74
  • Spacegroup Symbol: Imma
  • Crystal System: orthorhombic
  • Pointgroup: mmm