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  1. Third-Parties
  2. MatprojStructure
  3. mp-558227

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-558227
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 4
  • Element list: ['K', 'Rb', 'Mn', 'F']
  • Chemical System: F-K-Mn-Rb
  • Density: 3.3452910727458356
  • Atomic Density: 0.0594667487407743
  • Unit Cell Volume: 201.79344346384306
  • Molar Volume: 10.126904341536374
  • Full Formula: K2 Rb1 Mn2 F7
  • Reduced Formula: K2RbMn2F7
  • Formula Anonymous: AB2C2D7
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -70.97306907000001
  • Final energy per atom: -5.9144224225
  • 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.