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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1742719
  • Created at: Sept. 4, 2022, 4:02 p.m.
  • Last updated at: Sept. 4, 2022, 4:02 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 8
  • Number of elements: 3
  • Element list: ['As', 'Zn', 'Zr']
  • Chemical System: As-Zn-Zr
  • Density: 4.868857226864591
  • Atomic Density: 0.038268477057147685
  • Unit Cell Volume: 209.0493433551932
  • Molar Volume: 15.736557143381802
  • Full Formula: Zr2 Zn2 As4
  • Reduced Formula: ZrZnAs2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 122
  • Spacegroup Symbol: I-42d
  • Crystal System: tetragonal
  • Pointgroup: -42m