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  1. Third-Parties
  2. MatprojStructure
  3. mp-1019558

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-1019558
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 5
  • Element list: ['Ba', 'Sr', 'Mg', 'Si', 'O']
  • Chemical System: Ba-Mg-O-Si-Sr
  • Density: 4.552809044659968
  • Atomic Density: 0.07366968429905096
  • Unit Cell Volume: 190.0374643003642
  • Molar Volume: 8.174516854930488
  • Full Formula: Ba1 Sr2 Mg1 Si2 O8
  • Reduced Formula: BaSr2Mg(SiO4)2
  • Formula Anonymous: ABC2D2E8
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -104.64233876
  • Final energy per atom: -7.474452768571429
  • 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.