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  1. Third-Parties
  2. MatprojStructure
  3. mp-1211716

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-1211716
  • 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: 64
  • Number of elements: 5
  • Element list: ['K', 'Ti', 'Ge', 'P', 'O']
  • Chemical System: Ge-K-O-P-Ti
  • Density: 3.217421850776631
  • Atomic Density: 0.07369924402641097
  • Unit Cell Volume: 868.3942535023136
  • Molar Volume: 8.171238171509462
  • Full Formula: K8 Ti4 Ge4 P8 O40
  • Reduced Formula: K2TiGe(PO5)2
  • Formula Anonymous: ABC2D2E10
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -477.10988214
  • Final energy per atom: -7.4548419084375
  • 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.