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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-2032
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Ba', 'P', 'Cl']
  • Chemical System: Ba-Cl-P
  • Density: 4.014664207168357
  • Atomic Density: 0.028353253143085982
  • Unit Cell Volume: 141.0772859048596
  • Molar Volume: 21.239681843945707
  • Full Formula: Ba2 P1 Cl1
  • Reduced Formula: Ba2PCl
  • Formula Anonymous: ABC2
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m