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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-7648
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Sept. 4, 2022, 2:48 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 2
  • Number of elements: 2
  • Element list: ['Ca', 'Se']
  • Chemical System: Ca-Se
  • Density: 3.7765457974156895
  • Atomic Density: 0.038211143309671174
  • Unit Cell Volume: 52.34075263834892
  • Molar Volume: 15.760168993623928
  • Full Formula: Ca1 Se1
  • Reduced Formula: CaSe
  • Formula Anonymous: AB
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m