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  1. Third-Parties
  2. MatprojStructure
  3. mp-560586

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-560586
  • 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: ['Rb', 'Ti', 'P', 'O']
  • Chemical System: O-P-Rb-Ti
  • Density: 3.179821727343839
  • Atomic Density: 0.07394899489158234
  • Unit Cell Volume: 486.8220325750216
  • Molar Volume: 8.143641125655794
  • Full Formula: Rb2 Ti4 P6 O24
  • Reduced Formula: RbTi2(PO4)3
  • Formula Anonymous: AB2C3D12
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -293.65975451
  • Final energy per atom: -8.157215403055556
  • 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.