Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1202208

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-1202208
  • 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: 32
  • Number of elements: 4
  • Element list: ['Rb', 'Pt', 'Br', 'O']
  • Chemical System: Br-O-Pt-Rb
  • Density: 4.198629350683024
  • Atomic Density: 0.028829504751180818
  • Unit Cell Volume: 1109.9739754873633
  • Molar Volume: 20.888811001005287
  • Full Formula: Rb8 Pt4 Br16 O4
  • Reduced Formula: Rb2PtBr4O
  • Formula Anonymous: ABC2D4
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -109.80183328
  • Final energy per atom: -3.43130729
  • 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.