Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-558305

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-558305
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 90
  • Number of elements: 5
  • Element list: ['Rb', 'Ag', 'Pd', 'N', 'O']
  • Chemical System: Ag-N-O-Pd-Rb
  • Density: 3.5314948179449313
  • Atomic Density: 0.06493857714389371
  • Unit Cell Volume: 1385.9250380644173
  • Molar Volume: 9.273595180035866
  • Full Formula: Rb4 Ag8 Pd6 N24 O48
  • Reduced Formula: Rb2Ag4Pd3(NO2)12
  • Formula Anonymous: A2B3C4D12E24
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -564.13047647
  • Final energy per atom: -6.268116405222222
  • 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.