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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195594

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-1195594
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 216
  • Number of elements: 3
  • Element list: ['Ba', 'Sn', 'S']
  • Chemical System: Ba-S-Sn
  • Density: 4.197041947808569
  • Atomic Density: 0.0332174597073196
  • Unit Cell Volume: 6502.60441054749
  • Molar Volume: 18.1294440124601
  • Full Formula: Ba64 Sn32 S120
  • Reduced Formula: Ba8Sn4S15
  • Formula Anonymous: A4B8C15
  • Spacegroup Number: 29
  • Spacegroup Symbol: Pca2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -1121.74392798
  • Final energy per atom: -5.193258925833334
  • 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.