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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-110331
  • 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: 8
  • Number of elements: 3
  • Element list: ['Pr', 'Sm', 'O']
  • Chemical System: O-Pr-Sm
  • Density: 8.46860613976499
  • Atomic Density: 0.06310477098045802
  • Unit Cell Volume: 126.7732990026602
  • Molar Volume: 9.54308314004484
  • Full Formula: Pr2 Sm2 O4
  • Reduced Formula: PrSmO2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 141
  • Spacegroup Symbol: I4_1/amd
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm