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  1. Third-Parties
  2. MatprojStructure
  3. mp-694868

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-694868
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 76
  • Number of elements: 5
  • Element list: ['Rb', 'Zr', 'Fe', 'P', 'O']
  • Chemical System: Fe-O-P-Rb-Zr
  • Density: 3.7138163666759145
  • Atomic Density: 0.07048004705036091
  • Unit Cell Volume: 1078.319370951822
  • Molar Volume: 8.544461889613853
  • Full Formula: Rb8 Zr4 Fe4 P12 O48
  • Reduced Formula: Rb2ZrFe(PO4)3
  • Formula Anonymous: ABC2D3E12
  • Spacegroup Number: 198
  • Spacegroup Symbol: P2_13
  • Crystal System: cubic
  • Pointgroup: 23

Thermodynamics:

  • Final energy: -578.1713103
  • Final energy per atom: -7.607517240789473
  • 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.