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  1. Third-Parties
  2. MatprojStructure
  3. mp-558428

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-558428
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 41
  • Number of elements: 4
  • Element list: ['Ba', 'Sc', 'Si', 'O']
  • Chemical System: Ba-O-Sc-Si
  • Density: 4.85961680461588
  • Atomic Density: 0.06387920074055456
  • Unit Cell Volume: 641.8364588893581
  • Molar Volume: 9.427389025199192
  • Full Formula: Ba9 Sc2 Si6 O24
  • Reduced Formula: Ba9Sc2(SiO4)6
  • Formula Anonymous: A2B6C9D24
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -322.46336883
  • Final energy per atom: -7.864960215365853
  • 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.