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  1. Third-Parties
  2. MatprojStructure
  3. mp-4309

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-4309
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 3
  • Element list: ['Ba', 'Ga', 'S']
  • Chemical System: Ba-Ga-S
  • Density: 3.7059612945071954
  • Atomic Density: 0.04180189096048232
  • Unit Cell Volume: 574.1367064635557
  • Molar Volume: 14.406383590859726
  • Full Formula: Ba2 Ga8 S14
  • Reduced Formula: BaGa4S7
  • Formula Anonymous: AB4C7
  • Spacegroup Number: 31
  • Spacegroup Symbol: Pmn2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -116.19351659999998
  • Final energy per atom: -4.8413965249999995
  • 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.