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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-115803
  • 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: 5
  • Number of elements: 3
  • Element list: ['Ca', 'Si', 'N']
  • Chemical System: Ca-N-Si
  • Density: 2.868612153598716
  • Atomic Density: 0.06951091472878418
  • Unit Cell Volume: 71.93114951096337
  • Molar Volume: 8.663590147672531
  • Full Formula: Ca1 Si2 N2
  • Reduced Formula: Ca(SiN)2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 115
  • Spacegroup Symbol: P-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2