Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-774810

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-774810
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 5
  • Element list: ['Rb', 'P', 'H', 'O', 'F']
  • Chemical System: F-H-O-P-Rb
  • Density: 2.7250231866208026
  • Atomic Density: 0.06228015080274914
  • Unit Cell Volume: 899.1628838112588
  • Molar Volume: 9.669438307998082
  • Full Formula: Rb8 P8 H8 O24 F8
  • Reduced Formula: RbPHO3F
  • Formula Anonymous: ABCDE3
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -351.96426216000003
  • Final energy per atom: -6.28507611
  • 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.