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  1. Third-Parties
  2. MatprojStructure
  3. mp-1205043

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-1205043
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 124
  • Number of elements: 5
  • Element list: ['Rb', 'Fe', 'P', 'H', 'O']
  • Chemical System: Fe-H-O-P-Rb
  • Density: 3.350680396955301
  • Atomic Density: 0.06885303590550491
  • Unit Cell Volume: 1800.9372915695355
  • Molar Volume: 8.746369249810407
  • Full Formula: Rb14 Fe14 P16 H8 O72
  • Reduced Formula: Rb7Fe7P8(HO9)4
  • Formula Anonymous: A4B7C7D8E36
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -888.99422434
  • Final energy per atom: -7.169308260806451
  • 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.