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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-118847
  • 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: ['Na', 'Ca', 'As']
  • Chemical System: As-Ca-Na
  • Density: 2.4139554316107468
  • Atomic Density: 0.031604998584460975
  • Unit Cell Volume: 94.92169385747071
  • Molar Volume: 19.054393386243866
  • Full Formula: Na1 Ca1 As1
  • Reduced Formula: NaCaAs
  • Formula Anonymous: ABC
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm