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  1. Third-Parties
  2. MatprojStructure
  3. mp-1226597

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-1226597
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 106
  • Number of elements: 3
  • Element list: ['Er', 'Al', 'Cr']
  • Chemical System: Al-Cr-Er
  • Density: 4.531728368765798
  • Atomic Density: 0.05972512771940827
  • Unit Cell Volume: 1774.7973767087358
  • Molar Volume: 10.083093983979955
  • Full Formula: Er12 Al82 Cr12
  • Reduced Formula: Er6Al41Cr6
  • Formula Anonymous: A6B6C41
  • Spacegroup Number: 162
  • Spacegroup Symbol: P-31m
  • Crystal System: trigonal
  • Pointgroup: -31m

Thermodynamics:

  • Final energy: -507.07882063
  • Final energy per atom: -4.783762458773585
  • 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.