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  1. Third-Parties
  2. MatprojStructure
  3. mp-571258

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-571258
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 13
  • Number of elements: 2
  • Element list: ['Er', 'I']
  • Chemical System: Er-I
  • Density: 6.835000616319358
  • Atomic Density: 0.028283816597835243
  • Unit Cell Volume: 459.6267959464488
  • Molar Volume: 21.29182509428702
  • Full Formula: Er6 I7
  • Reduced Formula: Er6I7
  • Formula Anonymous: A6B7
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -52.18766584
  • Final energy per atom: -4.014435833846154
  • 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.