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  1. Third-Parties
  2. MatprojStructure
  3. mp-774754

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-774754
  • 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: 26
  • Number of elements: 4
  • Element list: ['K', 'Re', 'O', 'F']
  • Chemical System: F-K-O-Re
  • Density: 4.626139163924354
  • Atomic Density: 0.06250240128272841
  • Unit Cell Volume: 415.98401767620896
  • Molar Volume: 9.635055032140224
  • Full Formula: K1 Re4 O8 F13
  • Reduced Formula: KRe4O8F13
  • Formula Anonymous: AB4C8D13
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -179.74562110000002
  • Final energy per atom: -6.9132931192307705
  • 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.