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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-99409
  • 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: 10
  • Number of elements: 3
  • Element list: ['Ba', 'Ca', 'N']
  • Chemical System: Ba-Ca-N
  • Density: 4.645129244173577
  • Atomic Density: 0.040808165720783975
  • Unit Cell Volume: 245.0489950570581
  • Molar Volume: 14.757195413301483
  • Full Formula: Ba4 Ca2 N4
  • Reduced Formula: Ba2CaN2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 59
  • Spacegroup Symbol: Pmmn1
  • Crystal System: orthorhombic
  • Pointgroup: mmm