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  1. Third-Parties
  2. MatprojStructure
  3. mp-561455

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-561455
  • 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: 124
  • Number of elements: 3
  • Element list: ['Ba', 'Sb', 'S']
  • Chemical System: Ba-S-Sb
  • Density: 4.231851222898561
  • Atomic Density: 0.03327444882062774
  • Unit Cell Volume: 3726.5831409693865
  • Molar Volume: 18.09839373287143
  • Full Formula: Ba32 Sb24 S68
  • Reduced Formula: Ba8Sb6S17
  • Formula Anonymous: A6B8C17
  • Spacegroup Number: 13
  • Spacegroup Symbol: P12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -631.32534584
  • Final energy per atom: -5.091333434193548
  • 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.