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  1. Third-Parties
  2. MatprojStructure
  3. mp-29302

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-29302
  • 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: 22
  • Number of elements: 3
  • Element list: ['Ba', 'Ga', 'S']
  • Chemical System: Ba-Ga-S
  • Density: 4.003491752906445
  • Atomic Density: 0.03565467038722813
  • Unit Cell Volume: 617.0299644077098
  • Molar Volume: 16.890187721822812
  • Full Formula: Ba6 Ga4 S12
  • Reduced Formula: Ba3(GaS3)2
  • Formula Anonymous: A2B3C6
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -112.70853723999998
  • Final energy per atom: -5.123115329090909
  • 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.