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  1. Third-Parties
  2. MatprojStructure
  3. mp-734319

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-734319
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 5
  • Element list: ['Rb', 'Fe', 'H', 'Cl', 'O']
  • Chemical System: Cl-Fe-H-O-Rb
  • Density: 2.6036065845351453
  • Atomic Density: 0.060793339453598834
  • Unit Cell Volume: 723.7634977032882
  • Molar Volume: 9.905921954816222
  • Full Formula: Rb4 Fe4 H16 Cl12 O8
  • Reduced Formula: RbFeH4Cl3O2
  • Formula Anonymous: ABC2D3E4
  • Spacegroup Number: 54
  • Spacegroup Symbol: Pcca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -219.07574572
  • Final energy per atom: -4.97899422090909
  • 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.