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  1. Third-Parties
  2. MatprojStructure
  3. mp-1105808

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-1105808
  • 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: 20
  • Number of elements: 3
  • Element list: ['Er', 'Ir', 'I']
  • Chemical System: Er-I-Ir
  • Density: 6.178896113705262
  • Atomic Density: 0.025787721746819352
  • Unit Cell Volume: 775.5628898263102
  • Molar Volume: 23.352744453832056
  • Full Formula: Er7 Ir1 I12
  • Reduced Formula: Er7IrI12
  • Formula Anonymous: AB7C12
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -88.85510863
  • Final energy per atom: -4.4427554315
  • 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.