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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-112481
  • 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: 14
  • Number of elements: 3
  • Element list: ['Ca', 'Ga', 'S']
  • Chemical System: Ca-Ga-S
  • Density: 3.3009940677416045
  • Atomic Density: 0.04521136787979325
  • Unit Cell Volume: 309.6566340842157
  • Molar Volume: 13.319970269449717
  • Full Formula: Ca2 Ga4 S8
  • Reduced Formula: Ca(GaS2)2
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 66
  • Spacegroup Symbol: Cccm
  • Crystal System: orthorhombic
  • Pointgroup: mmm