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  1. Third-Parties
  2. MatprojStructure
  3. mp-1213729

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-1213729
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 31
  • Number of elements: 4
  • Element list: ['Cs', 'Pr', 'Ru', 'I']
  • Chemical System: Cs-I-Pr-Ru
  • Density: 4.980022973846908
  • Atomic Density: 0.023044358459116204
  • Unit Cell Volume: 1345.2316346752796
  • Molar Volume: 26.132820189740094
  • Full Formula: Cs2 Pr10 Ru2 I17
  • Reduced Formula: Cs2Pr10Ru2I17
  • Formula Anonymous: A2B2C10D17
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -139.58133999
  • Final energy per atom: -4.502623870645161
  • 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.