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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-120012
  • 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: 4
  • Number of elements: 3
  • Element list: ['Y', 'C', 'Br']
  • Chemical System: Br-C-Y
  • Density: 4.442249042004084
  • Atomic Density: 0.04104231692975382
  • Unit Cell Volume: 97.46038477423728
  • Molar Volume: 14.673003890855446
  • Full Formula: Y1 C1 Br2
  • Reduced Formula: YCBr2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm