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  1. Third-Parties
  2. MatprojStructure
  3. mp-1068447

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-1068447
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 5
  • Number of elements: 3
  • Element list: ['Ba', 'Ge', 'Pd']
  • Chemical System: Ba-Ge-Pd
  • Density: 6.803472822230411
  • Atomic Density: 0.04437340226447294
  • Unit Cell Volume: 112.68011342017813
  • Molar Volume: 13.571510077381554
  • Full Formula: Ba1 Ge3 Pd1
  • Reduced Formula: BaGe3Pd
  • Formula Anonymous: ABC3
  • Spacegroup Number: 107
  • Spacegroup Symbol: I4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -23.8012597
  • Final energy per atom: -4.76025194
  • 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.