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  1. Third-Parties
  2. MatprojStructure
  3. mp-1222492

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-1222492
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['Li', 'Er', 'Br']
  • Chemical System: Br-Er-Li
  • Density: 4.056059842686654
  • Atomic Density: 0.036593174161855695
  • Unit Cell Volume: 273.2750090431861
  • Molar Volume: 16.4570057064834
  • Full Formula: Li3 Er1 Br6
  • Reduced Formula: Li3ErBr6
  • Formula Anonymous: AB3C6
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -40.14879443
  • Final energy per atom: -4.014879443
  • 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.