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  1. Third-Parties
  2. MatprojStructure
  3. mp-685100

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-685100
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 33
  • Number of elements: 2
  • Element list: ['Cu', 'I']
  • Chemical System: Cu-I
  • Density: 5.254721965253459
  • Atomic Density: 0.031636728481767885
  • Unit Cell Volume: 1043.0914188557063
  • Molar Volume: 19.035282878476306
  • Full Formula: Cu14 I19
  • Reduced Formula: Cu14I19
  • Formula Anonymous: A14B19
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -95.84864567
  • Final energy per atom: -2.904504414242424
  • 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.