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  1. Third-Parties
  2. MatprojStructure
  3. mp-1209472

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-1209472
  • 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: 36
  • Number of elements: 4
  • Element list: ['Rb', 'Zr', 'Mo', 'O']
  • Chemical System: Mo-O-Rb-Zr
  • Density: 3.3154669517371524
  • Atomic Density: 0.04843734836457592
  • Unit Cell Volume: 743.2281331553684
  • Molar Volume: 12.432845651815697
  • Full Formula: Rb4 Zr2 Mo6 O24
  • Reduced Formula: Rb2Zr(MoO4)3
  • Formula Anonymous: AB2C3D12
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -290.69012823
  • Final energy per atom: -8.074725784166667
  • 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.