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  1. Third-Parties
  2. MatprojStructure
  3. mp-645701

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-645701
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 52
  • Number of elements: 3
  • Element list: ['Er', 'Te', 'Ru']
  • Chemical System: Er-Ru-Te
  • Density: 9.645546390190766
  • Atomic Density: 0.039405331291695496
  • Unit Cell Volume: 1319.618394147565
  • Molar Volume: 15.282553305849609
  • Full Formula: Er34 Te6 Ru12
  • Reduced Formula: Er17(TeRu2)3
  • Formula Anonymous: A3B6C17
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -316.66312547
  • Final energy per atom: -6.089675489807693
  • 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.