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  1. Third-Parties
  2. MatprojStructure
  3. mp-1194354

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-1194354
  • 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: 30
  • Number of elements: 4
  • Element list: ['K', 'Ti', 'Si', 'O']
  • Chemical System: K-O-Si-Ti
  • Density: 2.4593459053099043
  • Atomic Density: 0.0623157370782859
  • Unit Cell Volume: 481.4193236984689
  • Molar Volume: 9.663916439653946
  • Full Formula: K3 Ti4 Si3 O20
  • Reduced Formula: K3Ti4Si3O20
  • Formula Anonymous: A3B3C4D20
  • Spacegroup Number: 215
  • Spacegroup Symbol: P-43m
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -222.85889623
  • Final energy per atom: -7.428629874333334
  • 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.