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  1. Third-Parties
  2. MatprojStructure
  3. mp-20752

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-20752
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 11
  • Number of elements: 3
  • Element list: ['Ce', 'Sn', 'Ru']
  • Chemical System: Ce-Ru-Sn
  • Density: 8.776468757035527
  • Atomic Density: 0.04626440591041828
  • Unit Cell Volume: 237.76377937932
  • Molar Volume: 13.016790427744096
  • Full Formula: Ce1 Sn6 Ru4
  • Reduced Formula: Ce(Sn3Ru2)2
  • Formula Anonymous: AB4C6
  • Spacegroup Number: 121
  • Spacegroup Symbol: I-42m
  • Crystal System: tetragonal
  • Pointgroup: -42m

Thermodynamics:

  • Final energy: -70.92135671
  • Final energy per atom: -6.447396064545455
  • 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.