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  1. Third-Parties
  2. MatprojStructure
  3. mp-1193342

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-1193342
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 30
  • Number of elements: 4
  • Element list: ['Ba', 'Re', 'S', 'O']
  • Chemical System: Ba-O-Re-S
  • Density: 4.918983370208901
  • Atomic Density: 0.04746211817619337
  • Unit Cell Volume: 632.0830412294529
  • Molar Volume: 12.688310154308828
  • Full Formula: Ba2 Re6 S8 O14
  • Reduced Formula: BaRe3S4O7
  • Formula Anonymous: AB3C4D7
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -205.68794625
  • Final energy per atom: -6.856264875
  • 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.