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  1. Third-Parties
  2. MatprojStructure
  3. mp-6539

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-6539
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 64
  • Number of elements: 4
  • Element list: ['Rb', 'Ti', 'P', 'O']
  • Chemical System: O-P-Rb-Ti
  • Density: 3.509171333173997
  • Atomic Density: 0.06920095818901964
  • Unit Cell Volume: 924.842685345289
  • Molar Volume: 8.702395050008938
  • Full Formula: Rb8 Ti8 P8 O40
  • Reduced Formula: RbTiPO5
  • Formula Anonymous: ABCD5
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -506.71697124
  • Final energy per atom: -7.917452675625
  • 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.