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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-77265
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Zr', 'Sc', 'Cd']
  • Chemical System: Cd-Sc-Zr
  • Density: 6.1934600619297715
  • Atomic Density: 0.04132708116766844
  • Unit Cell Volume: 96.78883402802067
  • Molar Volume: 14.571899562825458
  • Full Formula: Zr1 Sc1 Cd2
  • Reduced Formula: ZrScCd2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm