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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195617

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-1195617
  • 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: 80
  • Number of elements: 5
  • Element list: ['Rb', 'Na', 'B', 'Br', 'O']
  • Chemical System: B-Br-Na-O-Rb
  • Density: 2.7310692127993996
  • Atomic Density: 0.0754078666765414
  • Unit Cell Volume: 1060.8972714101083
  • Molar Volume: 7.9860908754144955
  • Full Formula: Rb4 Na8 B24 Br4 O40
  • Reduced Formula: RbNa2B6BrO10
  • Formula Anonymous: ABC2D6E10
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -595.99434522
  • Final energy per atom: -7.44992931525
  • 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.