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  1. Third-Parties
  2. MatprojStructure
  3. mp-1229324

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-1229324
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 108
  • Number of elements: 4
  • Element list: ['Ba', 'Zn', 'Ge', 'Pd']
  • Chemical System: Ba-Ge-Pd-Zn
  • Density: 5.687215445027915
  • Atomic Density: 0.041484523932073206
  • Unit Cell Volume: 2603.380484173792
  • Molar Volume: 14.516596044010674
  • Full Formula: Ba16 Zn9 Ge80 Pd3
  • Reduced Formula: Ba16Zn9Ge80Pd3
  • Formula Anonymous: A3B9C16D80
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -460.7643815800001
  • Final energy per atom: -4.266336866481482
  • 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.