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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-97933
  • 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: 44
  • Number of elements: 4
  • Element list: ['Mg', 'H', 'Br', 'N']
  • Chemical System: Br-H-Mg-N
  • Density: 2.614488569909031
  • Atomic Density: 0.07938295503777074
  • Unit Cell Volume: 554.2751586793994
  • Molar Volume: 7.586188693951543
  • Full Formula: Mg4 H24 Br8 N8
  • Reduced Formula: MgH6(BrN)2
  • Formula Anonymous: AB2C2D6
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm