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  1. Third-Parties
  2. MatprojStructure
  3. mp-1209819

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-1209819
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 34
  • Number of elements: 4
  • Element list: ['Rb', 'Mo', 'Br', 'O']
  • Chemical System: Br-Mo-O-Rb
  • Density: 3.5834074424596793
  • Atomic Density: 0.027087173670974313
  • Unit Cell Volume: 1255.2066307469072
  • Molar Volume: 22.232444156597705
  • Full Formula: Rb10 Mo4 Br18 O2
  • Reduced Formula: Rb5Mo2Br9O
  • Formula Anonymous: AB2C5D9
  • Spacegroup Number: 36
  • Spacegroup Symbol: Cmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -140.02702548
  • Final energy per atom: -4.118441925882353
  • 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.