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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228533

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-1228533
  • Created at: Sept. 4, 2022, 2:40 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: 4.093027705091873
  • Atomic Density: 0.07673197894275342
  • Unit Cell Volume: 364.9065277058689
  • Molar Volume: 7.848280264598509
  • Full Formula: Ba2 Sr1 Ca3 Mg2 Si4 O16
  • Reduced Formula: Ba2SrCa3Mg2(SiO4)4
  • Formula Anonymous: AB2C2D3E4F16
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -210.17416907
  • Final energy per atom: -7.506220323928572
  • 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.