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  1. Third-Parties
  2. MatprojStructure
  3. mp-540995

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-540995
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 54
  • Number of elements: 4
  • Element list: ['Rb', 'Nb', 'O', 'F']
  • Chemical System: F-Nb-O-Rb
  • Density: 3.5403386331270754
  • Atomic Density: 0.05410109917511677
  • Unit Cell Volume: 998.1312916621246
  • Molar Volume: 11.131272472870238
  • Full Formula: Rb10 Nb6 O2 F36
  • Reduced Formula: Rb5Nb3OF18
  • Formula Anonymous: AB3C5D18
  • Spacegroup Number: 108
  • Spacegroup Symbol: I4cm
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -331.02615275000005
  • Final energy per atom: -6.130113939814816
  • 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.