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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-97767
  • 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: 24
  • Number of elements: 3
  • Element list: ['Ca', 'P', 'N']
  • Chemical System: Ca-N-P
  • Density: 3.3660894416438194
  • Atomic Density: 0.0794165825706097
  • Unit Cell Volume: 302.2038876913581
  • Molar Volume: 7.582976457902458
  • Full Formula: Ca8 P4 N12
  • Reduced Formula: Ca2PN3
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 64
  • Spacegroup Symbol: Cmce
  • Crystal System: orthorhombic
  • Pointgroup: mmm