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  1. Third-Parties
  2. MatprojStructure
  3. mp-642304

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-642304
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 17
  • Number of elements: 3
  • Element list: ['Ba', 'Ge', 'Pt']
  • Chemical System: Ba-Ge-Pt
  • Density: 8.63809333529259
  • Atomic Density: 0.04942243257324925
  • Unit Cell Volume: 343.97335612333956
  • Molar Volume: 12.185035107437404
  • Full Formula: Ba1 Ge12 Pt4
  • Reduced Formula: Ba(Ge3Pt)4
  • Formula Anonymous: AB4C12
  • Spacegroup Number: 204
  • Spacegroup Symbol: Im-3
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -87.95775196
  • Final energy per atom: -5.173985409411764
  • 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.