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  1. Third-Parties
  2. MatprojStructure
  3. mp-771693

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-771693
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 4
  • Element list: ['Ti', 'Mn', 'P', 'O']
  • Chemical System: Mn-O-P-Ti
  • Density: 3.258024219151463
  • Atomic Density: 0.07915079053495355
  • Unit Cell Volume: 454.82805360108364
  • Molar Volume: 7.608440445507084
  • Full Formula: Ti1 Mn5 P6 O24
  • Reduced Formula: TiMn5(PO4)6
  • Formula Anonymous: AB5C6D24
  • Spacegroup Number: 146
  • Spacegroup Symbol: R3H
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -296.66941416
  • Final energy per atom: -8.24081706
  • 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.