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  1. Third-Parties
  2. MatprojStructure
  3. mp-641919

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-641919
  • 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: 126
  • Number of elements: 7
  • Element list: ['K', 'Li', 'Ca', 'Ti', 'Si', 'O', 'F']
  • Chemical System: Ca-F-K-Li-O-Si-Ti
  • Density: 2.805824558306482
  • Atomic Density: 0.07673828680742505
  • Unit Cell Volume: 1641.9443962333607
  • Molar Volume: 7.847635138262311
  • Full Formula: K2 Li6 Ca14 Ti4 Si24 O72 F4
  • Reduced Formula: KLi3Ca7Ti2Si12(O18F)2
  • Formula Anonymous: AB2C2D3E7F12G36
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -990.87641495
  • Final energy per atom: -7.864098531349207
  • 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.