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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-105730
  • 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: 5
  • Number of elements: 3
  • Element list: ['Ca', 'Sc', 'O']
  • Chemical System: Ca-O-Sc
  • Density: 3.2780197032575824
  • Atomic Density: 0.0741952291710311
  • Unit Cell Volume: 67.3897776968146
  • Molar Volume: 8.116614541506523
  • Full Formula: Ca1 Sc1 O3
  • Reduced Formula: CaScO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m