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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-99260
  • 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: 13
  • Number of elements: 5
  • Element list: ['Sr', 'Ca', 'Tl', 'Cu', 'O']
  • Chemical System: Ca-Cu-O-Sr-Tl
  • Density: 6.294563556965088
  • Atomic Density: 0.07480204531113636
  • Unit Cell Volume: 173.7920393209434
  • Molar Volume: 8.0507701827552
  • Full Formula: Sr2 Ca1 Tl1 Cu2 O7
  • Reduced Formula: Sr2CaTlCu2O7
  • Formula Anonymous: ABC2D2E7
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm