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  1. Third-Parties
  2. MatprojStructure
  3. mp-686677

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-686677
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 30
  • Number of elements: 5
  • Element list: ['Rb', 'P', 'H', 'Se', 'O']
  • Chemical System: H-O-P-Rb-Se
  • Density: 2.9634001158480547
  • Atomic Density: 0.06499095414642393
  • Unit Cell Volume: 461.60270139149395
  • Molar Volume: 9.266121476586083
  • Full Formula: Rb4 P2 H6 Se2 O16
  • Reduced Formula: Rb2PH3SeO8
  • Formula Anonymous: ABC2D3E8
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -177.40036948
  • Final energy per atom: -5.913345649333333
  • 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.