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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-119447
  • 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: 28
  • Number of elements: 3
  • Element list: ['Ca', 'Er', 'S']
  • Chemical System: Ca-Er-S
  • Density: 5.166548088108095
  • Atomic Density: 0.043311755032163564
  • Unit Cell Volume: 646.475765740895
  • Molar Volume: 13.904171640073054
  • Full Formula: Ca4 Er8 S16
  • Reduced Formula: Ca(ErS2)2
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm