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  1. Third-Parties
  2. MatprojStructure
  3. mp-1216239

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-1216239
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 80
  • Number of elements: 4
  • Element list: ['Y', 'Er', 'Al', 'O']
  • Chemical System: Al-Er-O-Y
  • Density: 4.861510302099827
  • Atomic Density: 0.08975311617987417
  • Unit Cell Volume: 891.3339547974251
  • Molar Volume: 6.709673174946965
  • Full Formula: Y9 Er3 Al20 O48
  • Reduced Formula: Y9Er3Al20O48
  • Formula Anonymous: A3B9C20D48
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -679.41962897
  • Final energy per atom: -8.492745362125
  • 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.