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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-116965
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 29
  • Number of elements: 3
  • Element list: ['Zr', 'Ga', 'Ir']
  • Chemical System: Ga-Ir-Zr
  • Density: 10.389752622453653
  • Atomic Density: 0.060313433497158626
  • Unit Cell Volume: 480.8215735449084
  • Molar Volume: 9.984742056317693
  • Full Formula: Zr6 Ga16 Ir7
  • Reduced Formula: Zr6Ga16Ir7
  • Formula Anonymous: A6B7C16
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m