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  1. Third-Parties
  2. MatprojStructure
  3. mp-1019548

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-1019548
  • 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: 116
  • Number of elements: 4
  • Element list: ['Ba', 'Ge', 'S', 'O']
  • Chemical System: Ba-Ge-O-S
  • Density: 2.7687984075710643
  • Atomic Density: 0.06549094417379632
  • Unit Cell Volume: 1771.2372521636808
  • Molar Volume: 9.195379355073534
  • Full Formula: Ba4 Ge4 S24 O84
  • Reduced Formula: BaGe(S2O7)3
  • Formula Anonymous: ABC6D21
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -764.12843304
  • Final energy per atom: -6.587314077931034
  • 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.