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  1. Third-Parties
  2. MatprojStructure
  3. mp-26114

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-26114
  • 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: 68
  • Number of elements: 3
  • Element list: ['Ti', 'P', 'O']
  • Chemical System: O-P-Ti
  • Density: 2.3984570989389535
  • Atomic Density: 0.06750298663994517
  • Unit Cell Volume: 1007.3628351098871
  • Molar Volume: 8.921295278565308
  • Full Formula: Ti4 P16 O48
  • Reduced Formula: Ti(PO3)4
  • Formula Anonymous: AB4C12
  • Spacegroup Number: 60
  • Spacegroup Symbol: Pbcn
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -542.3177289600001
  • Final energy per atom: -7.975260720000001
  • 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.