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  1. Third-Parties
  2. MatprojStructure
  3. mp-558980

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-558980
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 4
  • Element list: ['Er', 'Cu', 'Si', 'S']
  • Chemical System: Cu-Er-S-Si
  • Density: 5.720767401348695
  • Atomic Density: 0.05054819033941025
  • Unit Cell Volume: 474.7944454361254
  • Molar Volume: 11.913662427010362
  • Full Formula: Er6 Cu2 Si2 S14
  • Reduced Formula: Er3CuSiS7
  • Formula Anonymous: ABC3D7
  • Spacegroup Number: 173
  • Spacegroup Symbol: P6_3
  • Crystal System: hexagonal
  • Pointgroup: 6

Thermodynamics:

  • Final energy: -147.41340545
  • Final energy per atom: -6.142225227083333
  • 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.