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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-74731
  • 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: ['Mg', 'Be', 'Nb']
  • Chemical System: Be-Mg-Nb
  • Density: 4.0611465465422265
  • Atomic Density: 0.0723382603898476
  • Unit Cell Volume: 55.295772644283616
  • Molar Volume: 8.324973157420834
  • Full Formula: Mg1 Be2 Nb1
  • Reduced Formula: MgBe2Nb
  • Formula Anonymous: ABC2
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm