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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-117108
  • 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: 11
  • Number of elements: 3
  • Element list: ['Sc', 'P', 'Ru']
  • Chemical System: P-Ru-Sc
  • Density: 8.37906957119045
  • Atomic Density: 0.07159552326618498
  • Unit Cell Volume: 153.6408911923599
  • Molar Volume: 8.411337029565779
  • Full Formula: Sc1 P4 Ru6
  • Reduced Formula: Sc(P2Ru3)2
  • Formula Anonymous: AB4C6
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2