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  1. Third-Parties
  2. MatprojStructure
  3. mp-761252

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-761252
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 5
  • Element list: ['Rb', 'P', 'H', 'O', 'F']
  • Chemical System: F-H-O-P-Rb
  • Density: 2.5987520657299044
  • Atomic Density: 0.07729894137647429
  • Unit Cell Volume: 517.4715110933445
  • Molar Volume: 7.790715697735055
  • Full Formula: Rb4 P4 H12 O16 F4
  • Reduced Formula: RbPH3O4F
  • Formula Anonymous: ABCD3E4
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -238.59000711
  • Final energy per atom: -5.96475017775
  • 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.