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  1. Third-Parties
  2. MatprojStructure
  3. mp-676801

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-676801
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 3
  • Element list: ['K', 'Th', 'F']
  • Chemical System: F-K-Th
  • Density: 5.0544774835928505
  • Atomic Density: 0.05939623575014208
  • Unit Cell Volume: 740.7876853525141
  • Molar Volume: 10.138926623789617
  • Full Formula: K7 Th6 F31
  • Reduced Formula: K7Th6F31
  • Formula Anonymous: A6B7C31
  • Spacegroup Number: 146
  • Spacegroup Symbol: R3H
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -291.61190094
  • Final energy per atom: -6.627543203181818
  • 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.