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  1. Third-Parties
  2. MatprojStructure
  3. mp-9976

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-9976
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 17
  • Number of elements: 3
  • Element list: ['Ba', 'Sb', 'Ru']
  • Chemical System: Ba-Ru-Sb
  • Density: 7.911070423110667
  • Atomic Density: 0.04044020250059318
  • Unit Cell Volume: 420.3737604862548
  • Molar Volume: 14.891470337992661
  • Full Formula: Ba1 Sb12 Ru4
  • Reduced Formula: Ba(Sb3Ru)4
  • Formula Anonymous: AB4C12
  • Spacegroup Number: 204
  • Spacegroup Symbol: Im-3
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -96.46225782
  • Final energy per atom: -5.6742504600000006
  • 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.