Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1218800

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-1218800
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 58
  • Number of elements: 4
  • Element list: ['Sr', 'Ti', 'Bi', 'O']
  • Chemical System: Bi-O-Sr-Ti
  • Density: 6.779534139018601
  • Atomic Density: 0.07695826361924364
  • Unit Cell Volume: 753.6552576986278
  • Molar Volume: 7.825203528233121
  • Full Formula: Sr4 Ti10 Bi8 O36
  • Reduced Formula: Sr2Ti5(Bi2O9)2
  • Formula Anonymous: A2B4C5D18
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -462.5089459
  • Final energy per atom: -7.9742921706896555
  • 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.