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  1. Third-Parties
  2. MatprojStructure
  3. mp-2004

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-2004
  • 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: 26
  • Number of elements: 2
  • Element list: ['Cu', 'Sb']
  • Chemical System: Cu-Sb
  • Density: 8.785314968162782
  • Atomic Density: 0.06872746606585413
  • Unit Cell Volume: 378.30581408438655
  • Molar Volume: 8.762349472086795
  • Full Formula: Cu20 Sb6
  • Reduced Formula: Cu10Sb3
  • Formula Anonymous: A3B10
  • Spacegroup Number: 176
  • Spacegroup Symbol: P6_3/m
  • Crystal System: hexagonal
  • Pointgroup: 6/m

Thermodynamics:

  • Final energy: -106.19375024
  • Final energy per atom: -4.08437500923077
  • 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.