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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-19104
  • 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: 20
  • Number of elements: 3
  • Element list: ['Ca', 'As', 'N']
  • Chemical System: As-Ca-N
  • Density: 3.255691101003562
  • Atomic Density: 0.046868460731447126
  • Unit Cell Volume: 426.72619684692756
  • Molar Volume: 12.84902611695833
  • Full Formula: Ca12 As4 N4
  • Reduced Formula: Ca3AsN
  • Formula Anonymous: ABC3
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm