Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1198666

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-1198666
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 5
  • Element list: ['Rb', 'Eu', 'Fe', 'P', 'O']
  • Chemical System: Eu-Fe-O-P-Rb
  • Density: 3.6383570493957498
  • Atomic Density: 0.06536749730090084
  • Unit Cell Volume: 856.6948760822186
  • Molar Volume: 9.212744878817638
  • Full Formula: Rb7 Eu1 Fe6 P8 O34
  • Reduced Formula: Rb7EuFe6(P4O17)2
  • Formula Anonymous: AB6C7D8E34
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -419.74456044
  • Final energy per atom: -7.495438579285714
  • 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.