Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1179111

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-1179111
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 15
  • Number of elements: 4
  • Element list: ['Sr', 'Ag', 'I', 'O']
  • Chemical System: Ag-I-O-Sr
  • Density: 4.981328006459865
  • Atomic Density: 0.04792209822996311
  • Unit Cell Volume: 313.00799743825297
  • Molar Volume: 12.56652146385919
  • Full Formula: Sr1 Ag2 I4 O8
  • Reduced Formula: SrAg2(IO2)4
  • Formula Anonymous: AB2C4D8
  • Spacegroup Number: 97
  • Spacegroup Symbol: I422
  • Crystal System: tetragonal
  • Pointgroup: 422

Thermodynamics:

  • Final energy: -67.32205885
  • Final energy per atom: -4.488137256666667
  • 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.