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  1. Third-Parties
  2. MatprojStructure
  3. mp-1103554

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-1103554
  • 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: 14
  • Number of elements: 5
  • Element list: ['Ba', 'Ca', 'Mg', 'Si', 'O']
  • Chemical System: Ba-Ca-Mg-O-Si
  • Density: 3.9364579145608927
  • Atomic Density: 0.0779151024492577
  • Unit Cell Volume: 179.68275160925978
  • Molar Volume: 7.729105873821992
  • Full Formula: Ba1 Ca2 Mg1 Si2 O8
  • Reduced Formula: BaCa2Mg(SiO4)2
  • Formula Anonymous: ABC2D2E8
  • Spacegroup Number: 147
  • Spacegroup Symbol: P-3
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -105.34174963
  • Final energy per atom: -7.524410687857142
  • 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.