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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-56743
  • 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: 15
  • Number of elements: 4
  • Element list: ['Li', 'Ca', 'Si', 'N']
  • Chemical System: Ca-Li-N-Si
  • Density: 2.8474179474955625
  • Atomic Density: 0.08924533822113101
  • Unit Cell Volume: 168.07600597392755
  • Molar Volume: 6.74784910902395
  • Full Formula: Li4 Ca3 Si2 N6
  • Reduced Formula: Li4Ca3(SiN3)2
  • Formula Anonymous: A2B3C4D6
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m