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  1. Third-Parties
  2. MatprojStructure
  3. mp-28840

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-28840
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 80
  • Number of elements: 3
  • Element list: ['Y', 'Ru', 'I']
  • Chemical System: I-Ru-Y
  • Density: 5.106894744940003
  • Atomic Density: 0.02818364655308639
  • Unit Cell Volume: 2838.5255204401224
  • Molar Volume: 21.36750029367834
  • Full Formula: Y32 Ru8 I40
  • Reduced Formula: Y4RuI5
  • Formula Anonymous: AB4C5
  • Spacegroup Number: 134
  • Spacegroup Symbol: P4_2/nnm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -445.42255148
  • Final energy per atom: -5.567781893499999
  • 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.