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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-109027
  • 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: 4
  • Number of elements: 2
  • Element list: ['Ca', 'Y']
  • Chemical System: Ca-Y
  • Density: 2.3603008137136086
  • Atomic Density: 0.02718575869885718
  • Unit Cell Volume: 147.13586051832903
  • Molar Volume: 22.151821572127602
  • Full Formula: Ca3 Y1
  • Reduced Formula: Ca3Y
  • Formula Anonymous: AB3
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m