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  1. Third-Parties
  2. MatprojStructure
  3. mp-30170

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-30170
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 54
  • Number of elements: 3
  • Element list: ['Ba', 'Ge', 'Pd']
  • Chemical System: Ba-Ge-Pd
  • Density: 5.941662555509123
  • Atomic Density: 0.04161775570662169
  • Unit Cell Volume: 1297.5231144289744
  • Molar Volume: 14.470123767490502
  • Full Formula: Ba8 Ge40 Pd6
  • Reduced Formula: Ba4Ge20Pd3
  • Formula Anonymous: A3B4C20
  • Spacegroup Number: 223
  • Spacegroup Symbol: Pm-3n
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -245.98809482
  • Final energy per atom: -4.555335089259259
  • 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.