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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-79744
  • 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: 4
  • Number of elements: 3
  • Element list: ['Ca', 'P', 'Au']
  • Chemical System: Au-Ca-P
  • Density: 0.4488441695479282
  • Atomic Density: 0.0035092956290440594
  • Unit Cell Volume: 1139.8298755153921
  • Molar Volume: 171.6053988201742
  • Full Formula: Ca2 P1 Au1
  • Reduced Formula: Ca2PAu
  • Formula Anonymous: ABC2
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm