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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-12791
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 36
  • Number of elements: 3
  • Element list: ['Sc', 'Cu', 'O']
  • Chemical System: Cu-O-Sc
  • Density: 4.783742921115243
  • Atomic Density: 0.08729785852886594
  • Unit Cell Volume: 412.3812497427555
  • Molar Volume: 6.898383146487743
  • Full Formula: Sc8 Cu8 O20
  • Reduced Formula: Sc2Cu2O5
  • Formula Anonymous: A2B2C5
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2