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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-100015
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Cr', 'Fe', 'As']
  • Chemical System: As-Cr-Fe
  • Density: 7.744937125950729
  • Atomic Density: 0.07576233901374836
  • Unit Cell Volume: 79.19502061454568
  • Molar Volume: 7.948726027198264
  • Full Formula: Cr1 Fe3 As2
  • Reduced Formula: CrFe3As2
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 115
  • Spacegroup Symbol: P-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2