Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1048048

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-1048048
  • 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: 24
  • Number of elements: 4
  • Element list: ['Sr', 'Ga', 'Bi', 'O']
  • Chemical System: Bi-Ga-O-Sr
  • Density: 6.160660117200004
  • Atomic Density: 0.0574516825948668
  • Unit Cell Volume: 417.74233435844326
  • Molar Volume: 10.482096412156375
  • Full Formula: Sr4 Ga2 Bi4 O14
  • Reduced Formula: Sr2GaBi2O7
  • Formula Anonymous: AB2C2D7
  • Spacegroup Number: 46
  • Spacegroup Symbol: Ima2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -151.23967627
  • Final energy per atom: -6.301653177916666
  • 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.