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  1. Third-Parties
  2. MatprojStructure
  3. mp-619067

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-619067
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 3
  • Element list: ['U', 'Cu', 'S']
  • Chemical System: Cu-S-U
  • Density: 7.737089558564161
  • Atomic Density: 0.05246888242980238
  • Unit Cell Volume: 457.4139735510733
  • Molar Volume: 11.477547226314503
  • Full Formula: U6 Cu4 S14
  • Reduced Formula: U3Cu2S7
  • Formula Anonymous: A2B3C7
  • Spacegroup Number: 173
  • Spacegroup Symbol: P6_3
  • Crystal System: hexagonal
  • Pointgroup: 6

Thermodynamics:

  • Final energy: -176.16810016
  • Final energy per atom: -7.340337506666667
  • 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.