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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228542

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-1228542
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 6
  • Element list: ['Ba', 'Sr', 'Ca', 'Mg', 'Si', 'O']
  • Chemical System: Ba-Ca-Mg-O-Si-Sr
  • Density: 4.402614884370514
  • Atomic Density: 0.07464484521978897
  • Unit Cell Volume: 375.10962635872636
  • Molar Volume: 8.06772489415449
  • Full Formula: Ba2 Sr3 Ca1 Mg2 Si4 O16
  • Reduced Formula: Ba2Sr3CaMg2(SiO4)4
  • Formula Anonymous: AB2C2D3E4F16
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -209.42557243
  • Final energy per atom: -7.479484729642857
  • 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.