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  1. Third-Parties
  2. MatprojStructure
  3. mp-1218595

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-1218595
  • 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: 47
  • Number of elements: 4
  • Element list: ['Sr', 'Al', 'Bi', 'O']
  • Chemical System: Al-Bi-O-Sr
  • Density: 4.192476870653726
  • Atomic Density: 0.06982530106288808
  • Unit Cell Volume: 673.1084475764667
  • Molar Volume: 8.624582591596944
  • Full Formula: Sr6 Al12 Bi2 O27
  • Reduced Formula: Sr6Al12Bi2O27
  • Formula Anonymous: A2B6C12D27
  • Spacegroup Number: 146
  • Spacegroup Symbol: R3H
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -350.81082758
  • Final energy per atom: -7.464060161276596
  • 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.