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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195598

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-1195598
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 54
  • Number of elements: 4
  • Element list: ['Ba', 'Er', 'Si', 'O']
  • Chemical System: Ba-Er-O-Si
  • Density: 5.534934915966848
  • Atomic Density: 0.0738417123798744
  • Unit Cell Volume: 731.2939835712386
  • Molar Volume: 8.155472788902086
  • Full Formula: Ba2 Er8 Si10 O34
  • Reduced Formula: BaEr4Si5O17
  • Formula Anonymous: AB4C5D17
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -460.06440749
  • Final energy per atom: -8.519711249814815
  • 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.