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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-114475
  • 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: 3
  • Number of elements: 3
  • Element list: ['Ca', 'B', 'C']
  • Chemical System: B-C-Ca
  • Density: 1.9345994276669451
  • Atomic Density: 0.05556670415750116
  • Unit Cell Volume: 53.9891657330736
  • Molar Volume: 10.83767851865126
  • Full Formula: Ca1 B1 C1
  • Reduced Formula: CaBC
  • Formula Anonymous: ABC
  • Spacegroup Number: 38
  • Spacegroup Symbol: Amm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2