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  1. Third-Parties
  2. MatprojStructure
  3. mp-562764

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-562764
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 3
  • Element list: ['Ba', 'B', 'S']
  • Chemical System: B-Ba-S
  • Density: 3.6701641647349104
  • Atomic Density: 0.037319691544368115
  • Unit Cell Volume: 1286.1842639544443
  • Molar Volume: 16.13663058506387
  • Full Formula: Ba14 B8 S26
  • Reduced Formula: Ba7B4S13
  • Formula Anonymous: A4B7C13
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -272.29092448
  • Final energy per atom: -5.672727593333334
  • 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.