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  1. Third-Parties
  2. MatprojStructure
  3. mp-1096939

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-1096939
  • 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: 10
  • Number of elements: 3
  • Element list: ['Cu', 'Ge', 'I']
  • Chemical System: Cu-Ge-I
  • Density: 4.756537728580233
  • Atomic Density: 0.02770804066274692
  • Unit Cell Volume: 360.9060677265738
  • Molar Volume: 21.73427140987521
  • Full Formula: Cu2 Ge2 I6
  • Reduced Formula: CuGeI3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 140
  • Spacegroup Symbol: I4/mcm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -26.95035615
  • Final energy per atom: -2.695035615
  • 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.