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  1. Third-Parties
  2. MatprojStructure
  3. mp-27390

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-27390
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 30
  • Number of elements: 3
  • Element list: ['K', 'Th', 'F']
  • Chemical System: F-K-Th
  • Density: 3.532038511149927
  • Atomic Density: 0.053308003261912276
  • Unit Cell Volume: 562.7672800386903
  • Molar Volume: 11.29687925171777
  • Full Formula: K10 Th2 F18
  • Reduced Formula: K5ThF9
  • Formula Anonymous: AB5C9
  • Spacegroup Number: 36
  • Spacegroup Symbol: Cmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -165.92057996
  • Final energy per atom: -5.530685998666667
  • 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.