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  1. Third-Parties
  2. MatprojStructure
  3. mp-744814

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-744814
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 84
  • Number of elements: 5
  • Element list: ['Rb', 'Fe', 'P', 'H', 'O']
  • Chemical System: Fe-H-O-P-Rb
  • Density: 3.118070307297343
  • Atomic Density: 0.07887997979944958
  • Unit Cell Volume: 1064.9089948243895
  • Molar Volume: 7.634561742169746
  • Full Formula: Rb6 Fe6 P12 H12 O48
  • Reduced Formula: RbFeP2(HO4)2
  • Formula Anonymous: ABC2D2E8
  • Spacegroup Number: 167
  • Spacegroup Symbol: R-3cH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -590.16423336
  • Final energy per atom: -7.025764682857143
  • 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.