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  1. Third-Parties
  2. MatprojStructure
  3. mp-734428

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-734428
  • 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: 70
  • Number of elements: 4
  • Element list: ['Rb', 'Ta', 'P', 'O']
  • Chemical System: O-P-Rb-Ta
  • Density: 3.4753849339077947
  • Atomic Density: 0.06461736863951933
  • Unit Cell Volume: 1083.3000704579713
  • Molar Volume: 9.319693585165458
  • Full Formula: Rb4 Ta4 P14 O48
  • Reduced Formula: Rb2Ta2P7O24
  • Formula Anonymous: A2B2C7D24
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -557.32637129
  • Final energy per atom: -7.961805304142857
  • 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.