Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-554873

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-554873
  • 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: 92
  • Number of elements: 3
  • Element list: ['Ag', 'B', 'O']
  • Chemical System: Ag-B-O
  • Density: 3.2148446064341942
  • Atomic Density: 0.08727385098951546
  • Unit Cell Volume: 1054.1530934741531
  • Molar Volume: 6.900280773359552
  • Full Formula: Ag8 B32 O52
  • Reduced Formula: Ag2B8O13
  • Formula Anonymous: A2B8C13
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -724.7583362
  • Final energy per atom: -7.877808002173913
  • 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.