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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-113743
  • 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: 3
  • Number of elements: 3
  • Element list: ['Ca', 'Sb', 'Au']
  • Chemical System: Au-Ca-Sb
  • Density: 6.897775175297968
  • Atomic Density: 0.03473147499203096
  • Unit Cell Volume: 86.37698228158584
  • Molar Volume: 17.339144857457864
  • Full Formula: Ca1 Sb1 Au1
  • Reduced Formula: CaSbAu
  • Formula Anonymous: ABC
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm