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  1. Third-Parties
  2. MatprojStructure
  3. mp-686674

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-686674
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 84
  • Number of elements: 5
  • Element list: ['Ba', 'La', 'Si', 'O', 'F']
  • Chemical System: Ba-F-La-O-Si
  • Density: 5.047062727762065
  • Atomic Density: 0.06469337601599202
  • Unit Cell Volume: 1298.4327789484264
  • Molar Volume: 9.308744002649272
  • Full Formula: Ba8 La12 Si12 O48 F4
  • Reduced Formula: Ba2La3Si3O12F
  • Formula Anonymous: AB2C3D3E12
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -693.5457987499998
  • Final energy per atom: -8.256497604166665
  • 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.