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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-74334
  • 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: 4
  • Number of elements: 3
  • Element list: ['Be', 'Mo', 'Se']
  • Chemical System: Be-Mo-Se
  • Density: 6.223676184717425
  • Atomic Density: 0.07770890781214204
  • Unit Cell Volume: 51.474150295225215
  • Molar Volume: 7.749614464481045
  • Full Formula: Be2 Mo1 Se1
  • Reduced Formula: Be2MoSe
  • Formula Anonymous: ABC2
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm