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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1465956
  • Created at: Sept. 4, 2022, 3:51 p.m.
  • Last updated at: Sept. 4, 2022, 3:51 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 5
  • Number of elements: 3
  • Element list: ['As', 'Ca', 'Sb']
  • Chemical System: As-Ca-Sb
  • Density: 13.522850103577257
  • Atomic Density: 0.09394181590059453
  • Unit Cell Volume: 53.22443421032866
  • Molar Volume: 6.410500693719173
  • Full Formula: Ca1 Sb2 As2
  • Reduced Formula: Ca(SbAs)2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1