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  1. Third-Parties
  2. MatprojStructure
  3. mp-1211964

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-1211964
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 46
  • Number of elements: 5
  • Element list: ['K', 'In', 'C', 'O', 'F']
  • Chemical System: C-F-In-K-O
  • Density: 2.230337143011401
  • Atomic Density: 0.067879692100065
  • Unit Cell Volume: 677.6695441132673
  • Molar Volume: 8.871785616119837
  • Full Formula: K3 In1 C12 O12 F18
  • Reduced Formula: K3InC12(O2F3)6
  • Formula Anonymous: AB3C12D12E18
  • Spacegroup Number: 147
  • Spacegroup Symbol: P-3
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -298.16884619
  • Final energy per atom: -6.481931438913044
  • 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.