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  1. Third-Parties
  2. MatprojStructure
  3. mp-1219659

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-1219659
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 64
  • Number of elements: 5
  • Element list: ['Rb', 'Ti', 'Tl', 'P', 'O']
  • Chemical System: O-P-Rb-Ti-Tl
  • Density: 3.9453126671025123
  • Atomic Density: 0.06936129193635042
  • Unit Cell Volume: 922.7048431959684
  • Molar Volume: 8.682278821343516
  • Full Formula: Rb6 Ti8 Tl2 P8 O40
  • Reduced Formula: Rb3Ti4Tl(PO5)4
  • Formula Anonymous: AB3C4D4E20
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -505.45073682
  • Final energy per atom: -7.8976677628125
  • 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.