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  1. Third-Parties
  2. MatprojStructure
  3. mp-27316

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-27316
  • 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: 60
  • Number of elements: 3
  • Element list: ['Rb', 'Zr', 'F']
  • Chemical System: F-Rb-Zr
  • Density: 3.701316636057619
  • Atomic Density: 0.0561362214565569
  • Unit Cell Volume: 1068.8286180150765
  • Molar Volume: 10.727727310005102
  • Full Formula: Rb10 Zr8 F42
  • Reduced Formula: Rb5Zr4F21
  • Formula Anonymous: A4B5C21
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -384.72002202
  • Final energy per atom: -6.412000367
  • 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.