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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228626

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-1228626
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 4
  • Element list: ['Ba', 'Si', 'Ge', 'O']
  • Chemical System: Ba-Ge-O-Si
  • Density: 4.283204674176098
  • Atomic Density: 0.07150123110613572
  • Unit Cell Volume: 391.6016489063954
  • Molar Volume: 8.422429469865762
  • Full Formula: Ba2 Si3 Ge5 O18
  • Reduced Formula: Ba2Si3Ge5O18
  • Formula Anonymous: A2B3C5D18
  • Spacegroup Number: 174
  • Spacegroup Symbol: P-6
  • Crystal System: hexagonal
  • Pointgroup: -6

Thermodynamics:

  • Final energy: -208.03827493
  • Final energy per atom: -7.429938390357143
  • 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.