Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1105110

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-1105110
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 4
  • Element list: ['Sr', 'Bi', 'Se', 'O']
  • Chemical System: Bi-O-Se-Sr
  • Density: 6.224827970153949
  • Atomic Density: 0.039135726248952084
  • Unit Cell Volume: 459.9378042839304
  • Molar Volume: 15.38783443468422
  • Full Formula: Sr4 Bi4 Se6 O4
  • Reduced Formula: Sr2Bi2Se3O2
  • Formula Anonymous: A2B2C2D3
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -96.04352046
  • Final energy per atom: -5.335751136666667
  • 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.