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  1. Third-Parties
  2. MatprojStructure
  3. mp-1200013

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-1200013
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 224
  • Number of elements: 5
  • Element list: ['Rb', 'Mg', 'B', 'O', 'F']
  • Chemical System: B-F-Mg-O-Rb
  • Density: 2.7685764803386563
  • Atomic Density: 0.06341317915042441
  • Unit Cell Volume: 3532.388740022677
  • Molar Volume: 9.49667063011411
  • Full Formula: Rb36 Mg12 B58 O116 F2
  • Reduced Formula: Rb18Mg6B29O58F
  • Formula Anonymous: AB6C18D29E58
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -1642.10337562
  • Final energy per atom: -7.330818641160714
  • 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.