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  1. Third-Parties
  2. MatprojStructure
  3. mp-569965

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-569965
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 124
  • Number of elements: 2
  • Element list: ['Ba', 'Ge']
  • Chemical System: Ba-Ge
  • Density: 5.37923310545349
  • Atomic Density: 0.03803954252166199
  • Unit Cell Volume: 3259.7658063155463
  • Molar Volume: 15.831264943763804
  • Full Formula: Ba24 Ge100
  • Reduced Formula: Ba6Ge25
  • Formula Anonymous: A6B25
  • Spacegroup Number: 213
  • Spacegroup Symbol: P4_132
  • Crystal System: cubic
  • Pointgroup: 432

Thermodynamics:

  • Final energy: -531.86239256
  • Final energy per atom: -4.2892128432258065
  • 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.