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  1. Third-Parties
  2. MatprojStructure
  3. mp-735488

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-735488
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 82
  • Number of elements: 5
  • Element list: ['Rb', 'Na', 'Mo', 'H', 'O']
  • Chemical System: H-Mo-Na-O-Rb
  • Density: 2.0988401763864775
  • Atomic Density: 0.08142353528643108
  • Unit Cell Volume: 1007.0798290880032
  • Molar Volume: 7.396068886981338
  • Full Formula: Rb2 Na6 Mo4 H36 O34
  • Reduced Formula: RbNa3Mo2H18O17
  • Formula Anonymous: AB2C3D17E18
  • Spacegroup Number: 176
  • Spacegroup Symbol: P6_3/m
  • Crystal System: hexagonal
  • Pointgroup: 6/m

Thermodynamics:

  • Final energy: -473.13639867000006
  • Final energy per atom: -5.769956081341464
  • 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.