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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-35164
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 15
  • Number of elements: 5
  • Element list: ['Li', 'Ca', 'Mg', 'Si', 'N']
  • Chemical System: Ca-Li-Mg-N-Si
  • Density: 2.799349534155022
  • Atomic Density: 0.0928184852285476
  • Unit Cell Volume: 161.6057400965486
  • Molar Volume: 6.488083429902612
  • Full Formula: Li4 Ca2 Mg1 Si2 N6
  • Reduced Formula: Li4Ca2Mg(SiN3)2
  • Formula Anonymous: AB2C2D4E6
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m