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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-29913
  • 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: 16
  • Number of elements: 4
  • Element list: ['Ga', 'H', 'N', 'F']
  • Chemical System: F-Ga-H-N
  • Density: 3.2513767280585575
  • Atomic Density: 0.10896930153836096
  • Unit Cell Volume: 146.83034372178156
  • Molar Volume: 5.526456235823443
  • Full Formula: Ga2 H6 N2 F6
  • Reduced Formula: GaH3NF3
  • Formula Anonymous: ABC3D3
  • Spacegroup Number: 39
  • Spacegroup Symbol: Aem2
  • Crystal System: orthorhombic
  • Pointgroup: mm2