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  1. Third-Parties
  2. MatprojStructure
  3. mp-680158

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-680158
  • 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: 90
  • Number of elements: 4
  • Element list: ['K', 'Ti', 'Ge', 'O']
  • Chemical System: Ge-K-O-Ti
  • Density: 3.6425970856034495
  • Atomic Density: 0.0674299560586429
  • Unit Cell Volume: 1334.7183545800958
  • Molar Volume: 8.930957562485474
  • Full Formula: K12 Ti6 Ge18 O54
  • Reduced Formula: K2Ti(GeO3)3
  • Formula Anonymous: AB2C3D9
  • Spacegroup Number: 165
  • Spacegroup Symbol: P-3c1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -623.2372306
  • Final energy per atom: -6.924858117777777
  • 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.