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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-3036
  • 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: 9
  • Number of elements: 3
  • Element list: ['Ba', 'Na', 'P']
  • Chemical System: Ba-Na-P
  • Density: 3.706209155152977
  • Atomic Density: 0.03500326923141104
  • Unit Cell Volume: 257.11884054314646
  • Molar Volume: 17.20450944220914
  • Full Formula: Ba3 Na3 P3
  • Reduced Formula: BaNaP
  • Formula Anonymous: ABC
  • Spacegroup Number: 189
  • Spacegroup Symbol: P-62m
  • Crystal System: hexagonal
  • Pointgroup: -62m