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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-96855
  • 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: 40
  • Number of elements: 5
  • Element list: ['Ba', 'Ca', 'V', 'Cu', 'F']
  • Chemical System: Ba-Ca-Cu-F-V
  • Density: 4.4167484801158645
  • Atomic Density: 0.0712958141046164
  • Unit Cell Volume: 561.0427554878008
  • Molar Volume: 8.446696114814499
  • Full Formula: Ba4 Ca2 V4 Cu2 F28
  • Reduced Formula: Ba2CaV2CuF14
  • Formula Anonymous: ABC2D2E14
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m