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  1. Third-Parties
  2. MatprojStructure
  3. mp-561121

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-561121
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 4
  • Element list: ['Cs', 'Ti', 'P', 'O']
  • Chemical System: Cs-O-P-Ti
  • Density: 2.928273438990003
  • Atomic Density: 0.0671457112713078
  • Unit Cell Volume: 417.00355048535687
  • Molar Volume: 8.968764565866376
  • Full Formula: Cs1 Ti3 P5 O19
  • Reduced Formula: CsTi3P5O19
  • Formula Anonymous: AB3C5D19
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -229.85519512
  • Final energy per atom: -8.20911411142857
  • 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.