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  1. Third-Parties
  2. MatprojStructure
  3. mp-21827

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-21827
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 58
  • Number of elements: 3
  • Element list: ['In', 'Cu', 'Se']
  • Chemical System: Cu-In-Se
  • Density: 5.089899575158797
  • Atomic Density: 0.0348468606639144
  • Unit Cell Volume: 1664.425400020662
  • Molar Volume: 17.281731109385746
  • Full Formula: In18 Cu8 Se32
  • Reduced Formula: In9(CuSe4)4
  • Formula Anonymous: A4B9C16
  • Spacegroup Number: 215
  • Spacegroup Symbol: P-43m
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -226.96365659
  • Final energy per atom: -3.9131664929310346
  • 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.