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  1. Third-Parties
  2. MatprojStructure
  3. mp-561305

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-561305
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 42
  • Number of elements: 4
  • Element list: ['Ba', 'Zn', 'Si', 'O']
  • Chemical System: Ba-O-Si-Zn
  • Density: 4.493110531875051
  • Atomic Density: 0.06424516205964444
  • Unit Cell Volume: 653.7457242462507
  • Molar Volume: 9.373687553950159
  • Full Formula: Ba6 Zn6 Si6 O24
  • Reduced Formula: BaZnSiO4
  • Formula Anonymous: ABCD4
  • Spacegroup Number: 173
  • Spacegroup Symbol: P6_3
  • Crystal System: hexagonal
  • Pointgroup: 6

Thermodynamics:

  • Final energy: -293.94043061
  • Final energy per atom: -6.998581681190477
  • 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.