Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1227545

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-1227545
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 34
  • Number of elements: 6
  • Element list: ['Ba', 'Sr', 'Mn', 'Al', 'Pb', 'O']
  • Chemical System: Al-Ba-Mn-O-Pb-Sr
  • Density: 4.25184856108652
  • Atomic Density: 0.07879638206985132
  • Unit Cell Volume: 431.4918922274848
  • Molar Volume: 7.642661505272541
  • Full Formula: Ba1 Sr1 Mn2 Al9 Pb1 O20
  • Reduced Formula: BaSrMn2Al9PbO20
  • Formula Anonymous: ABCD2E9F20
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -263.67507708
  • Final energy per atom: -7.7551493258823525
  • 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.