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  1. Third-Parties
  2. MatprojStructure
  3. mp-1217052

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-1217052
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 9
  • Number of elements: 3
  • Element list: ['Ti', 'P', 'O']
  • Chemical System: O-P-Ti
  • Density: 4.843844769112463
  • Atomic Density: 0.07189746922638894
  • Unit Cell Volume: 125.17825866249932
  • Molar Volume: 8.376012152858447
  • Full Formula: Ti6 P2 O1
  • Reduced Formula: Ti6P2O
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -75.65095266
  • Final energy per atom: -8.405661406666667
  • 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.