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  1. Third-Parties
  2. MatprojStructure
  3. mp-541963

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-541963
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 3
  • Element list: ['Rb', 'Fe', 'Se']
  • Chemical System: Fe-Rb-Se
  • Density: 4.022539935127402
  • Atomic Density: 0.031877185029107954
  • Unit Cell Volume: 1129.3343489121573
  • Molar Volume: 18.89169559514435
  • Full Formula: Rb12 Fe8 Se16
  • Reduced Formula: Rb3(FeSe2)2
  • Formula Anonymous: A2B3C4
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -169.75697083
  • Final energy per atom: -4.715471411944445
  • 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.