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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1759434
  • 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', 'H', 'In']
  • Chemical System: Ca-H-In
  • Density: 3.8105599360636435
  • Atomic Density: 0.07265626416406157
  • Unit Cell Volume: 275.26876354169514
  • Molar Volume: 8.288536204396221
  • Full Formula: Ca4 In4 H12
  • Reduced Formula: CaInH3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm