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  1. Third-Parties
  2. MatprojStructure
  3. mp-17020

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-17020
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 30
  • Number of elements: 4
  • Element list: ['Ti', 'Tl', 'Ge', 'O']
  • Chemical System: Ge-O-Ti-Tl
  • Density: 5.934710433357664
  • Atomic Density: 0.06549338501728669
  • Unit Cell Volume: 458.0615277723336
  • Molar Volume: 9.195036656618807
  • Full Formula: Ti2 Tl4 Ge6 O18
  • Reduced Formula: TiTl2(GeO3)3
  • Formula Anonymous: AB2C3D9
  • Spacegroup Number: 176
  • Spacegroup Symbol: P6_3/m
  • Crystal System: hexagonal
  • Pointgroup: 6/m

Thermodynamics:

  • Final energy: -207.45619793
  • Final energy per atom: -6.915206597666667
  • 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.