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  1. Third-Parties
  2. MatprojStructure
  3. mp-1190401

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-1190401
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 4
  • Element list: ['Ba', 'Ag', 'Sb', 'S']
  • Chemical System: Ag-Ba-S-Sb
  • Density: 4.632952646874406
  • Atomic Density: 0.03614416185099433
  • Unit Cell Volume: 664.0076507774867
  • Molar Volume: 16.661448077912283
  • Full Formula: Ba4 Ag4 Sb4 S12
  • Reduced Formula: BaAgSbS3
  • Formula Anonymous: ABCD3
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -112.04587600000002
  • Final energy per atom: -4.668578166666667
  • 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.