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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-100033
  • 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', 'Sr', 'Mo', 'O']
  • Chemical System: Ba-Mo-O-Sr
  • Density: 6.503002898246494
  • Atomic Density: 0.07636546777986708
  • Unit Cell Volume: 130.9492404188008
  • Molar Volume: 7.885947582170998
  • Full Formula: Ba1 Sr1 Mo2 O6
  • Reduced Formula: BaSr(MoO3)2
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m