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  1. Third-Parties
  2. MatprojStructure
  3. mp-14864

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-14864
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 52
  • Number of elements: 4
  • Element list: ['Cs', 'Ti', 'P', 'O']
  • Chemical System: Cs-O-P-Ti
  • Density: 3.4130091365020694
  • Atomic Density: 0.0530552292738509
  • Unit Cell Volume: 980.1107395389018
  • Molar Volume: 11.35070160363647
  • Full Formula: Cs8 Ti4 P8 O32
  • Reduced Formula: Cs2Ti(PO4)2
  • Formula Anonymous: AB2C2D8
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -391.11441682
  • Final energy per atom: -7.521431092692307
  • 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.