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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-107012
  • 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: 10
  • Number of elements: 4
  • Element list: ['Ba', 'Ca', 'Nb', 'O']
  • Chemical System: Ba-Ca-Nb-O
  • Density: 5.316194451693685
  • Atomic Density: 0.06356763388480448
  • Unit Cell Volume: 157.31276105260935
  • Molar Volume: 9.473595904030592
  • Full Formula: Ba2 Ca1 Nb1 O6
  • Reduced Formula: Ba2CaNbO6
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m