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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-3243
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 7
  • Number of elements: 3
  • Element list: ['Ca', 'Sb', 'O']
  • Chemical System: Ca-O-Sb
  • Density: 3.9202814361801903
  • Atomic Density: 0.03936327927104894
  • Unit Cell Volume: 177.83071252268323
  • Molar Volume: 15.2988797466099
  • Full Formula: Ca4 Sb2 O1
  • Reduced Formula: Ca4Sb2O
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm