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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227962

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-1227962
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 5
  • Number of elements: 3
  • Element list: ['Ba', 'Cd', 'Ga']
  • Chemical System: Ba-Cd-Ga
  • Density: 6.476836684861339
  • Atomic Density: 0.03583101273532871
  • Unit Cell Volume: 139.54392070727303
  • Molar Volume: 16.80706265402954
  • Full Formula: Ba1 Cd3 Ga1
  • Reduced Formula: BaCd3Ga
  • Formula Anonymous: ABC3
  • Spacegroup Number: 107
  • Spacegroup Symbol: I4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -9.19921364
  • Final energy per atom: -1.839842728
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.