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  1. Third-Parties
  2. MatprojStructure
  3. mp-1198047

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-1198047
  • 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: 42
  • Number of elements: 5
  • Element list: ['K', 'Cu', 'P', 'O', 'F']
  • Chemical System: Cu-F-K-O-P
  • Density: 3.3099648613107937
  • Atomic Density: 0.07413434832908433
  • Unit Cell Volume: 566.5390058271086
  • Molar Volume: 8.123280093145972
  • Full Formula: K2 Cu6 P6 O16 F12
  • Reduced Formula: KCu3P3(O4F3)2
  • Formula Anonymous: AB3C3D6E8
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -258.80293338
  • Final energy per atom: -6.161974604285715
  • 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.