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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-11802
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 10
  • Number of elements: 4
  • Element list: ['Ba', 'Ca', 'W', 'O']
  • Chemical System: Ba-Ca-O-W
  • Density: 6.5225263715012
  • Atomic Density: 0.06606400867178015
  • Unit Cell Volume: 151.36835019627853
  • Molar Volume: 9.115615114909629
  • Full Formula: Ba2 Ca1 W1 O6
  • Reduced Formula: Ba2CaWO6
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 87
  • Spacegroup Symbol: I4/m
  • Crystal System: tetragonal
  • Pointgroup: 4/m