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  1. Third-Parties
  2. MatprojStructure
  3. mp-734561

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-734561
  • 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: 44
  • Number of elements: 4
  • Element list: ['Rb', 'P', 'H', 'O']
  • Chemical System: H-O-P-Rb
  • Density: 2.732097971631269
  • Atomic Density: 0.06637356354594028
  • Unit Cell Volume: 662.9145347838003
  • Molar Volume: 9.073101455268095
  • Full Formula: Rb6 P6 H8 O24
  • Reduced Formula: Rb3P3(HO3)4
  • Formula Anonymous: A3B3C4D12
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -280.4589199
  • Final energy per atom: -6.374066361363637
  • 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.