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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-59903
  • 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: 14
  • Number of elements: 3
  • Element list: ['Ca', 'Mn', 'S']
  • Chemical System: Ca-Mn-S
  • Density: 3.211933197109293
  • Atomic Density: 0.04866719612214964
  • Unit Cell Volume: 287.66810327148175
  • Molar Volume: 12.374127214736285
  • Full Formula: Ca2 Mn4 S8
  • Reduced Formula: Ca(MnS2)2
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 74
  • Spacegroup Symbol: Imma
  • Crystal System: orthorhombic
  • Pointgroup: mmm