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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-110264
  • 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: 8
  • Number of elements: 3
  • Element list: ['Cr', 'Fe', 'As']
  • Chemical System: As-Cr-Fe
  • Density: 7.366669697593149
  • Atomic Density: 0.06886429924782149
  • Unit Cell Volume: 116.170498899734
  • Molar Volume: 8.744938706670291
  • Full Formula: Cr2 Fe2 As4
  • Reduced Formula: CrFeAs2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 31
  • Spacegroup Symbol: Pmn2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2