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  1. Third-Parties
  2. MatprojStructure
  3. mp-1181716

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-1181716
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 9
  • Number of elements: 4
  • Element list: ['Cr', 'Cu', 'Hg', 'Se']
  • Chemical System: Cr-Cu-Hg-Se
  • Density: 6.180090550000619
  • Atomic Density: 0.04412754824402836
  • Unit Cell Volume: 203.9542271922606
  • Molar Volume: 13.647122941653477
  • Full Formula: Cr1 Cu3 Hg1 Se4
  • Reduced Formula: CrCu3HgSe4
  • Formula Anonymous: ABC3D4
  • Spacegroup Number: 215
  • Spacegroup Symbol: P-43m
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -39.4701718
  • Final energy per atom: -4.385574644444445
  • 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.