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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-29416
  • 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: 20
  • Number of elements: 4
  • Element list: ['Mn', 'Sb', 'S', 'Cl']
  • Chemical System: Cl-Mn-S-Sb
  • Density: 4.152781394416589
  • Atomic Density: 0.04525940987252352
  • Unit Cell Volume: 441.89705646475466
  • Molar Volume: 13.305831377302102
  • Full Formula: Mn4 Sb4 S8 Cl4
  • Reduced Formula: MnSbS2Cl
  • Formula Anonymous: ABCD2
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm