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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1759433
  • Created at: Sept. 4, 2022, 4:03 p.m.
  • Last updated at: Sept. 4, 2022, 4:03 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 20
  • Number of elements: 3
  • Element list: ['Ca', 'F', 'In']
  • Chemical System: Ca-F-In
  • Density: 4.401296285302768
  • Atomic Density: 0.06254442035550593
  • Unit Cell Volume: 319.7727293069293
  • Molar Volume: 9.628581935478527
  • Full Formula: Ca4 In4 F12
  • Reduced Formula: CaInF3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm