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  1. Third-Parties
  2. MatprojStructure
  3. mp-1182880

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-1182880
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 9
  • Number of elements: 4
  • Element list: ['Al', 'Cu', 'Hg', 'Se']
  • Chemical System: Al-Cu-Hg-Se
  • Density: 5.947525255485975
  • Atomic Density: 0.043914135425508094
  • Unit Cell Volume: 204.94539885151042
  • Molar Volume: 13.713444888868201
  • Full Formula: Al1 Cu3 Hg1 Se4
  • Reduced Formula: AlCu3HgSe4
  • Formula Anonymous: ABC3D4
  • Spacegroup Number: 215
  • Spacegroup Symbol: P-43m
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -34.13306963
  • Final energy per atom: -3.7925632922222223
  • 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.