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  1. Third-Parties
  2. MatprojStructure
  3. mp-556703

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-556703
  • 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: 42
  • Number of elements: 4
  • Element list: ['Ba', 'Mg', 'Si', 'O']
  • Chemical System: Ba-Mg-O-Si
  • Density: 4.989229812237029
  • Atomic Density: 0.06779600735258598
  • Unit Cell Volume: 619.5055083638044
  • Molar Volume: 8.882736602290922
  • Full Formula: Ba9 Mg3 Si6 O24
  • Reduced Formula: Ba3Mg(SiO4)2
  • Formula Anonymous: AB2C3D8
  • Spacegroup Number: 147
  • Spacegroup Symbol: P-3
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -312.96249178
  • Final energy per atom: -7.451487899523809
  • 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.