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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-15394
  • 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: ['Ba', 'P', 'Ru']
  • Chemical System: Ba-P-Ru
  • Density: 6.6044368810565075
  • Atomic Density: 0.04954086882018539
  • Unit Cell Volume: 100.9267725632368
  • Molar Volume: 12.155904616566358
  • Full Formula: Ba1 P2 Ru2
  • Reduced Formula: Ba(PRu)2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm