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  1. Third-Parties
  2. MatprojStructure
  3. mp-532617

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-532617
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 152
  • Number of elements: 5
  • Element list: ['O', 'P', 'Rb', 'Ti', 'Yb']
  • Chemical System: O-P-Rb-Ti-Yb
  • Density: 3.7893230208815685
  • Atomic Density: 0.07244107402316986
  • Unit Cell Volume: 2098.25712897884
  • Molar Volume: 8.313157750910557
  • Full Formula: Rb16 Yb3 Ti13 P24 O96
  • Reduced Formula: Rb16Yb3Ti13(PO4)24
  • Formula Anonymous: A3B13C16D24E96
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -1183.52728945
  • Final energy per atom: -7.7863637463815785
  • 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.