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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228617

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-1228617
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 42
  • Number of elements: 6
  • Element list: ['Ba', 'Sr', 'Ca', 'Mg', 'Si', 'O']
  • Chemical System: Ba-Ca-Mg-O-Si-Sr
  • Density: 4.1453956752129875
  • Atomic Density: 0.07636819693988879
  • Unit Cell Volume: 549.967154954034
  • Molar Volume: 7.885665763118865
  • Full Formula: Ba3 Sr2 Ca4 Mg3 Si6 O24
  • Reduced Formula: Ba3Sr2Ca4Mg3(SiO4)6
  • Formula Anonymous: A2B3C3D4E6F24
  • Spacegroup Number: 143
  • Spacegroup Symbol: P3
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -315.15770871
  • Final energy per atom: -7.503754969285715
  • 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.