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  1. Third-Parties
  2. MatprojStructure
  3. mp-753854

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-753854
  • 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: 30
  • Number of elements: 5
  • Element list: ['Rb', 'P', 'H', 'Se', 'O']
  • Chemical System: H-O-P-Rb-Se
  • Density: 2.908855482884464
  • Atomic Density: 0.06379472427489483
  • Unit Cell Volume: 470.258322157306
  • Molar Volume: 9.43987269864241
  • Full Formula: Rb4 P2 H6 Se2 O16
  • Reduced Formula: Rb2PH3SeO8
  • Formula Anonymous: ABC2D3E8
  • Spacegroup Number: 7
  • Spacegroup Symbol: P1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -177.54997269
  • Final energy per atom: -5.918332423
  • 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.