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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-96840
  • 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: 6
  • Number of elements: 3
  • Element list: ['Ca', 'Si', 'Br']
  • Chemical System: Br-Ca-Si
  • Density: 2.9693005972614332
  • Atomic Density: 0.03481976680751943
  • Unit Cell Volume: 172.3159156454857
  • Molar Volume: 17.295178320090017
  • Full Formula: Ca3 Si1 Br2
  • Reduced Formula: Ca3SiBr2
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m